Account (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate
- Catalog No. :
- ACLBOZ109
- CAS No. :
- 57685-46-8
- Molecular Formula :
- C38H42O14
- Molecular Weight :
- 722.74
IUPAC Name:(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate
![(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate |
|---|---|
| IUPAC Name | (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate |
| Molecular Formula | C38H42O14 |
| Molecular Weight | 722.74 |
| SMILES | C=C1[C@H](OC(=O)C2=CC=CC=C2)[C@H]2[C@@H](OC(C)=O)[C@](C)(O)[C@H](O)[C@]2(OC(C)=O)C(=O)[C@@H](C)[C@@H]2O[C@H]2C(C)(C)C(=O)[C@H](O)[C@H]1OC(=O)C1=CC=CC=C1 |
| InChI Key | JFOILMZFESGPDU-GXRLDEOZSA-N |
| Synonym | Kansuinine B;Kansuinin B;2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione, 8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-, (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-;Kansuinine B,SARS coronavirus,Interleukin Related,SARS-CoV,Inhibitor,inhibit;(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-Diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate |
| CAS No. | 57685-46-8 |
| PubChem CID | 442050 |
Synthetic Route by SureRoute
2. ACLBOZ109 Molecular Building Block Synthetic Route
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR,12S)-9a-((benzoyloxy)methyl)-7,11a-dihydroxy-12-(hydroxymethyl)-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-4,1-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-7-(cinnamoyloxy)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate