Account (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
- Catalog No. :
- ACXGWA677
- CAS No. :
- 52329-20-1
- Molecular Formula :
- C28H39ClO6
- Molecular Weight :
- 507.07
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | - |
| Molecular Formula | C28H39ClO6 |
| Molecular Weight | 507.07 |
| SMILES | CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 |
| InChI Key | YCFROFMCBMCGDC-PNJOURQRSA-N |
| Synonym | 6α-chloro-5β-hydroxywithaferin A;6alpha-Chloro-5beta-hydroxywithaferin A;Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,22,27-tetrahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,22R)- |
| CAS No. | 52329-20-1 |
Synthetic Route by SureRoute
2. ACXGWA677 Molecular Building Block Synthetic Route
(R)-3-(hydroxymethyl)-4-methyl-6-((S)-1-((4S,5S,6S,8S,9S,10R,13S,14S,17R)-4,5,6-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)ethyl)-5,6-dihydro-2H-pyran-2-one
(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