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
Structure Info
- Chemspace ID
- CSSB00000743846 (In-Stock Building Blocks)
- CAS
- 4354-76-1
- MFCD
- MFCD00066759, MFCD00075290, MFCD01742647
- IUPAC Name
- 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
- Mol formula
- C22H22O8
- Mol weight
- 414 Da
- Catalog Number(s)
- 21942, 117993, 159821, 310643, 4354-76-1, 6015AB, A3209, ACM4354761, ADB61847001, AG111248, AG165349, AKOS016009914, BBLS00000743846, BD148470, CB05846, CD11124193, CS-0136519, CSC000743846, EAA35476, EBC-68028, EN300-52513, HY-15552A, KS-1281, LN00223952, LP005269, LP005271, M14809, M18124, N1790, NP-000798, NP-019902, R011423, R012794, SAB-025982, SAB-043728, SAB-062148, SC-47262, SC-94922, ST0075BM, T131071, TX00750I, bbls00000743846
- Dangerous substance
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.62
- Heavy atoms count
- 30
- Rotatable bond count
- 4
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.409
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 1
![Chemical structure of 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 (C22H22O8) - CSSB00000743846](/st/structure/200/af2b2be09f269b1f7958bde097b3e2b5/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C2C%2528COC2%253DO%2529C%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png "C22H22O8")
- Zoom the structure
- CSSB00000743846
Items Overall 10 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Titan Scientific | 5 days | China To: | 98 | 250 mg | 6.27 | |
Description: Purity: 98% , RG; CAS: 518-28-5 | ||||||
| Angel Pharmatech Ltd. | 10 days | China To: | 95 | 5 g | 308.00 | |
Description: CAS: 4354-76-1 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 26.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 45.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 83.00 | |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of (10R,11S,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 - CSSB00020654579](/st/structure/200/f5747081318b5c527f3a4f7a1255d7de/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%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,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,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 (10R,11R,15S,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 - CSSB03436517529](/st/structure/200/92b50efffb4b066c5389fd471bfb4c53/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11S,15R,16R)-16-hydroxy-10-[4-(²H₃)methoxy-3,5-dimethoxyphenyl]-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00159249576](/st/structure/200/ba4ea56d7a94271b19bc9130f3f1b7bc/%255B2H%255DC%2528%255B2H%255D%2529%2528%255B2H%255D%2529OC1%253DC%2528OC%2529C%253DC%2528C%253DC1OC%2529%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of bis(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); bis(8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid) - CSSB02495363070](/st/structure/200/f73d0d025bff82deac842b11ccde47f2/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C2C%2528COC2%253DO%2529C%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C2C%2528COC2%253DO%2529C%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C%2528C%2528CO%2529C%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12%2529C%2528O%2529%253DO.COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C%2528C%2528CO%2529C%2528O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12%2529C%2528O%2529%253DO.png)
![Chemical structure of 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 - CSSB00121595714](/st/structure/200/f2faded39c63f8a225e8db9f4055f765/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C2C%2528COC2%253DO%2529C%2528OC%2528C%2529%253DO%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
Similarity Analogs
![Chemical structure of (10R,11R,15R,16S)-16-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 - CSSB00000061886](/st/structure/200/df782b96766b2bbbc2f8dd61e2de5bc2/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%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 (10R,11R,15R,16R)-16-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 - CSSB00020660283](/st/structure/200/3543dead5d70f6d5a43f0d87fa81b9ea/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%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)
