Account (4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one
- Catalog No. :
- ACGVER384
- CAS No. :
- 32911-62-9
- Molecular Formula :
- C28H38O6
- Molecular Weight :
- 470.61
IUPAC Name:(4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one
![(4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one |
|---|---|
| IUPAC Name | (4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one |
| Molecular Formula | C28H38O6 |
| Molecular Weight | 470.61 |
| SMILES | CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 |
| InChI Key | DXWHOKCXBGLTMQ-SFQAJKIESA-N |
| Synonym | Withanolide A 32911-62-9;WITHANOLIDE A(P);(20R,22R)-5α,20-Dihydroxy-6α,7α:22,26-diepoxyergosta-2,24-diene-1,26-dione;(22R)-1-Oxo-5,20,22-trihydroxy-6α,7α-epoxy-5α-ergosta-2,24-diene-26-oic acid δ-lactone;(22R)-6α,7α-Epoxy-5,20,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone;WITHANOLIDE A(SH);5,20alpha-Dihydroxy-6alpha,7alpha-epoxy-1-oxowitha-2,24-dienolide;Withaniol |
| CAS No. | 32911-62-9 |
Synthetic Route by SureRoute
2. ACGVER384 Molecular Building Block Synthetic Route
(4aR,4bS,6aR,7R,9aS,9bS,9cS,10aS,10bR)-7-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-10b-hydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one
(4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-7,10b-dihydroxy-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-tetradecahydro-4H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4-one
6-(1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one