(3aR,9R,9aR)-6,7-dihydroxy-9-(3,4,5-trimethoxyphenyl)-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one
Structure Info
- Chemspace ID
- CSSB00160472935 (In-Stock Building Blocks)
- IUPAC Name
- (3aR,9R,9aR)-6,7-dihydroxy-9-(3,4,5-trimethoxyphenyl)-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one
- Mol formula
- C21H22O7
- Mol weight
- 386 Da
- Catalog Number(s)
- AA024L6J, AE-641/11517380, BJ73207, CSC160472935, D295560, ST024MQ3, TX024MEZ
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.58
- Heavy atoms count
- 28
- Rotatable bond count
- 4
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
![Chemical structure of (3aR,9R,9aR)-6,7-dihydroxy-9-(3,4,5-trimethoxyphenyl)-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one (C21H22O7) - CSSB00160472935](/st/structure/200/adc38269aa25f6ff0f75ac528f8ddf8a/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529CC2%253DCC%2528O%2529%253DC%2528O%2529C%253DC12.png "C21H22O7")
- Zoom the structure
- CSSB00160472935
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
Description: 6,7-Demethylenedeoxypodophyllotoxin; CAS: 1173-42-8 | ||||||
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Substructure Analogs
![Chemical structure of (10R,11R,15R)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00020667675](/st/structure/200/2353f92984250adaa5410479e29b431d/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529CC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00000743982](/st/structure/200/0f03f7c5fd25b8880c81ecea0e74cdae/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R)-2-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00102517879](/st/structure/200/c455ea68d6403f986cd2acb3d2fb3d4f/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529CC2%253DC%2528O%2529C3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R,16S)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00102512443](/st/structure/200/9181a6f2382f1bf5b543866b5197a9bd/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (11R,15R,16R)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione - CSSB00102512444](/st/structure/200/6325d7d9d78534b7156a8dc4fc2d1edc/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529C%2528%253DO%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10S,11R,15R,16R)-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate - CSSB00137409933](/st/structure/200/91b50adadb3aecb30de72f6cbd4c2447/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528OC%2528C%2529%253DO%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R,16R)-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate - CSSB14823878293](/st/structure/200/97467189b76bde563de0c88497d91398/COc1cc%2528cc%2528OC%2529c1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528OC%2528C%2529%253DO%2529c2cc3OCOc3cc12.png)
Similarity Analogs
![Chemical structure of (10R,11R,15R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00132312353](/st/structure/200/7f3d844d911cec2b9c6559e12aa71e60/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529CC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00025750031](/st/structure/200/9a20ae4b5dfd578b522e969531237efc/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2C%2528COC2%253DO%2529CC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R)-2-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00102517880](/st/structure/200/de1d6d564eebf3e159379047f6910cff/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529CC2%253DC%2528O%2529C3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of 9-(2H-1,3-benzodioxol-5-yl)-6,7,8-trimethoxy-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one - CSSB00159261858](/st/structure/200/c49f2aa1381edda0d144683336d31f54/COC1%253DCC2%253DC%2528C%2528C3C%2528COC3%253DO%2529C2%2529C2%253DCC%253DC3OCOC3%253DC2%2529C%2528OC%2529%253DC1OC.png)
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