Account (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-hydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate
- Catalog No. :
- ACJFLO577
- CAS No. :
- 857897-01-9
- Molecular Formula :
- C25H36O7
- Molecular Weight :
- 448.56
IUPAC Name:(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-hydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate
![(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-hydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-hydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate |
|---|---|
| IUPAC Name | (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-hydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate |
| Molecular Formula | C25H36O7 |
| Molecular Weight | 448.56 |
| SMILES | CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]12 |
| InChI Key | MIGQPMYRGFABCC-BIWLUZBDSA-N |
| Synonym | 11,12-Di-O-acetyltenacigenin B;Pregnan-20-one, 11,12-bis(acetyloxy)-8,14-epoxy-3-hydroxy-, (3β,5α,11α,12β,14β,17α)- (9CI);11α12β-Di-O-acetyltenacigeninB/1112-Di-O-acetyltenacigeninB |
| CAS No. | 857897-01-9 |
Synthetic Route by SureRoute
2. ACJFLO577 Molecular Building Block Synthetic Route
1-((1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-8,11,12-trihydroxy-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-1-yl)ethan-1-one
(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate
2,6,9a,11-tetrahydroxy-2,6,10,10-tetramethyltetradecahydro-5,7a-methanocyclohepta[6,7]azuleno[1,2-b]oxiren-9-yl acetate