Account Withanolide C
- Catalog No. :
- ACEXGF389
- CAS No. :
- 108030-78-0
- Molecular Formula :
- C28H39ClO7
- Molecular Weight :
- 523.07
IUPAC Name:(R)-6-((S)-1-((5R,6R,8R,9S,10S,13S,14R,17S)-5-chloro-6,14,17-trihydroxy-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)-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
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Product Information
| Product Name | Withanolide C |
|---|---|
| IUPAC Name | (R)-6-((S)-1-((5R,6R,8R,9S,10S,13S,14R,17S)-5-chloro-6,14,17-trihydroxy-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)-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one |
| Molecular Formula | C28H39ClO7 |
| Molecular Weight | 523.07 |
| SMILES | O[C@]12[C@]3([C@@]([C@]4(C)[C@@](Cl)([C@H](O)C3)CC=CC4=O)(CC[C@]1(C)[C@@]([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])(O)CC2)[H])[H] |
| InChI Key | JEJZNYLQNCIUEG-DEMKYSCBSA-N |
| Synonym | Withanolide C;Ergosta-2,24-dien-26-oic acid, 5-chloro-6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5α,6β,17α,22R)- |
| CAS No. | 108030-78-0 |
Synthetic Route by SureRoute
2. ACEXGF389 Molecular Building Block Synthetic Route
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
(R)-6-((S)-1-((4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-chloro-4,5-dihydroxy-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-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
Physaminimin N