Account (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-4-yl thiophene-2-carboxylate
- Catalog No. :
- ACSXTF484
- CAS No. :
- 2690312-65-1
- Molecular Formula :
- C33H40O7S
- Molecular Weight :
- 580.74
IUPAC Name:(4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-4-yl thiophene-2-carboxylate
![(4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-4-yl thiophene-2-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-4-yl thiophene-2-carboxylate |
|---|---|
| IUPAC Name | (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-1-oxo-1,4,5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-4-yl thiophene-2-carboxylate |
| Molecular Formula | C33H40O7S |
| Molecular Weight | 580.74 |
| SMILES | CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)C5=CC=CS5)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 |
| InChI Key | SPRBWBYDBAXLTG-VDTZSFEMSA-N |
| Synonym | Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-22,27-dihydroxy-1-oxo-4-[(2-thienylcarbonyl)oxy]-, δ-lactone, (4β,5β,6β,22R)-;ASR-488 |
| CAS No. | 2690312-65-1 |
Synthetic Route by SureRoute
2. ACSXTF484 Molecular Building Block Synthetic Route
(4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one
27-Methyl withaferin A
(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one