(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylbut-2-enoate
Structure Info
- Chemspace ID
- CSSB15546171198 (In-Stock Building Blocks)
- MFCD
- MFCD04034623
- IUPAC Name
- (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylbut-2-enoate
- Mol formula
- C20H26O5
- Mol weight
- 346 Da
- Catalog Number(s)
- AA001V5A, AA86922, AG001V82, AR001VX2, EC001XDU, M22858, ST001WOU, TX001WDQ, Y1249030, Y1314684
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.92
- Heavy atoms count
- 25
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.65
- Polar surface area (Å)
- 70
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylbut-2-enoate (C20H26O5) - CSSB15546171198](/st/structure/200/fed483c178a03df8973f21b34bd00b65/CC%253DC%2528C%2529C%2528%253DO%2529O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D3C%253DCC%2528%253DO%2529%255BC%2540%2540%255D13C%2529OC%2528%253DO%2529%255BC%2540H%255D2C.png "C20H26O5")
- Zoom the structure
- CSSB15546171198
Items Overall 47 items from 8 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 3 days | China To: | 99 | 1 mg | 25.30 | |
| 1st Scientific CN | 3 days | China To: | 99 | 5 mg | 66.00 | |
| 1st Scientific CN | 3 days | China To: | 99 | 10 mg | 110.00 | |
| 1st Scientific CN | 3 days | China To: | 99 | 25 mg | 217.80 | |
| 1st Scientific CN | 3 days | China To: | 99 | 50 mg | 369.60 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 99 | 1 mg | 25.30 | |
| 1st Scientific LLC | 3 days | United States To: | 99 | 5 mg | 66.00 | |
| 1st Scientific LLC | 3 days | United States To: | 99 | 10 mg | 110.00 | |
| 1st Scientific LLC | 3 days | United States To: | 99 | 25 mg | 217.80 | |
| 1st Scientific LLC | 3 days | United States To: | 99 | 50 mg | 369.60 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| Angene International Limited | 10 days | China To: | 99 | 1 mg | 25.20 | |
| Angene International Limited | 10 days | China To: | 99 | 5 mg | 71.10 | |
| Angene International Limited | 10 days | China To: | 99 | 10 mg | 119.70 | |
| Angene International Limited | 10 days | China To: | 99 | 25 mg | 236.70 | |
| Angene International Limited | 10 days | China To: | 99 | 50 mg | 401.40 | |
| Angene International Limited | 10 days | China To: | 99 | 100 mg | 600.30 | |
| Angene International Limited | 10 days | China To: | 99 | 250 mg | 1,079.10 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 1 mg | 25.30 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 5 mg | 73.60 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 10 mg | 124.20 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 25 mg | 247.25 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 50 mg | 420.90 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 100 mg | 631.35 | |
| Aaron Chemicals LLC | 12 days | United States To: | 99 | 250 mg | 1,136.20 | |
| A2B Chem | 12 days | United States To: | 98 | 1 mg | 28.75 | |
| A2B Chem | 12 days | United States To: | 98 | 5 mg | 74.75 | |
| A2B Chem | 12 days | United States To: | 98 | 10 mg | 123.05 | |
| A2B Chem | 12 days | United States To: | 98 | 25 mg | 241.50 | |
| A2B Chem | 12 days | United States To: | 98 | 50 mg | 408.25 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| AA BLOCKS | 12 days | United States To: | 99 | 1 mg | 30.80 | |
| AA BLOCKS | 12 days | United States To: | 99 | 5 mg | 79.20 | |
| AA BLOCKS | 12 days | United States To: | 99 | 10 mg | 132.00 | |
| AA BLOCKS | 12 days | United States To: | 99 | 25 mg | 261.80 | |
| AA BLOCKS | 12 days | United States To: | 99 | 50 mg | 443.30 | |
| AA BLOCKS | 12 days | United States To: | 99 | 100 mg | 666.60 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 99 | 1 mg | 26.40 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 5 mg | 72.60 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 10 mg | 122.10 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 25 mg | 240.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 50 mg | 405.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 100 mg | 608.30 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 250 mg | 1,092.30 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
| 10X CHEM | TBD | United States To: | 99 | 1 mg | 25.30 | |
| 10X CHEM | TBD | United States To: | 99 | 5 mg | 66.00 | |
| 10X CHEM | TBD | United States To: | 99 | 10 mg | 110.00 | |
| 10X CHEM | TBD | United States To: | 99 | 25 mg | 218.90 | |
| 10X CHEM | TBD | United States To: | 99 | 50 mg | 370.70 | |
Description: Brevilin A; CAS: 16503-32-5 | ||||||
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Substructure Analogs
![Chemical structure of (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate - CSSB03437847247](/st/structure/200/f509880c0c55633d10c583d007d7a2af/C%255CC%253DC%2528%252FC%2529C%2528%253DO%2529O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D3C%253DCC%2528%253DO%2529%255BC%2540%2540%255D13C%2529OC%2528%253DO%2529%255BC%2540H%255D2C.png)
![Chemical structure of (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate - CSSB00132312457](/st/structure/200/38f691030cb17aa1bb1c6dd38abfd261/C%255CC%253DC%2528%255CC%2529C%2528%253DO%2529O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D3C%253DCC%2528%253DO%2529%255BC%2540%2540%255D13C%2529OC%2528%253DO%2529%255BC%2540H%255D2C.png)
Similarity Analogs
![Chemical structure of 3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate - CSSB00159268102](/st/structure/200/91ef8772365dc34fc04621a81d9f6a03/CC1C2C%2528CC%2528C%2529C3C%253DCC%2528%253DO%2529C3%2528C%2529C2OC%2528%253DO%2529C%2528C%2529%253DC%2529OC1%253DO.png)
![Chemical structure of (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate - CSSB00134618140](/st/structure/200/2a30a7ffabadabd6e0abb1be0c1f4b8c/C%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D3C%253DCC%2528%253DO%2529%255BC%2540%2540%255D3%2528C%2529%255BC%2540H%255D2OC%2528%253DO%2529C%2528C%2529%253DC%2529OC1%253DO.png)
![Chemical structure of 3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylpropanoate - CSSB00159268103](/st/structure/200/8b6474aec3fd56b5ead61789521240e5/CC%2528C%2529C%2528%253DO%2529OC1C2C%2528CC%2528C%2529C3C%253DCC%2528%253DO%2529C13C%2529OC%2528%253DO%2529C2C.png)
![Chemical structure of (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylpropanoate - CSSB00134618141](/st/structure/200/a63e684566d826eee6825e86d68b8f54/CC%2528C%2529C%2528%253DO%2529O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540%2540H%255D%2528C%255BC%2540%2540H%255D%2528C%2529%255BC%2540%2540H%255D3C%253DCC%2528%253DO%2529%255BC%2540%2540%255D13C%2529OC%2528%253DO%2529%255BC%2540H%255D2C.png)
![Chemical structure of (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl acetate - CSSB03437847306](/st/structure/200/5afbb509b0da279a0aa83f0397fcfef2/C%255BC%2540%2540H%255D1C%255BC%2540%2540H%255D2OC%2528%253DO%2529C%2528%253DC%2529%255BC%2540H%255D2%255BC%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540%255D2%2528C%2529%255BC%2540H%255D1C%253DCC2%253DO.png)
