Account Withaphysalin C
- Catalog No. :
- ACTXXM967
- CAS No. :
- 57485-60-6
- Molecular Formula :
- C28H36O7
- Molecular Weight :
- 484.59
IUPAC Name:(6aR,7R,9aR,10R,12S,12aR,14aS,14bR)-10-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-7,12-dihydroxy-10,14b-dimethyl-4,6,6a,7,8,9,9a,10,13,14,14a,14b-dodecahydro-1H,12H-7,12a-epoxynaphtho[1',2':5,6]cyclonona[1,2-c]furan-1-one
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Product Information
| Product Name | Withaphysalin C |
|---|---|
| IUPAC Name | (6aR,7R,9aR,10R,12S,12aR,14aS,14bR)-10-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-7,12-dihydroxy-10,14b-dimethyl-4,6,6a,7,8,9,9a,10,13,14,14a,14b-dodecahydro-1H,12H-7,12a-epoxynaphtho[1',2':5,6]cyclonona[1,2-c]furan-1-one |
| Molecular Formula | C28H36O7 |
| Molecular Weight | 484.59 |
| SMILES | CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@H](O)[C@@]34CC[C@H]5[C@@H](CC=C6CC=CC(=O)[C@@]65C)[C@@](O)(CC[C@H]23)O4)C1 |
| InChI Key | GHCVAXUOWSKWRI-ZVHWPBFJSA-N |
| Synonym | (13R,22R)-13,14:18,20-Diepoxy-14,18,22-trihydroxy-1-oxo-13,14-secoergosta-2,5,24-trien-26-oic acid 26,22-lactone;Withaphysalin C;12H-7,12a-Epoxy-1H-naphtho[1',2':5,6]cyclonona[1,2-c]furan-1-one, 10-[(2R)-3,6-dihydro-4,5-dimethyl-6-oxo-2H-pyran-2-yl]-4,6,6a,7,8,9,9a,10,13,14,14a,14b-dodecahydro-7,12-dihydroxy-10,14b-dimethyl-, (6aR,7R,9aR,10R,12aR,14aS,14bR)- |
| CAS No. | 57485-60-6 |
Synthetic Route by SureRoute
2. ACTXXM967 Molecular Building Block Synthetic Route
Minisecolide D
(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione
(R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-4-methyl-3-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-5,6-dihydro-2H-pyran-2-one