Cyklabil
(8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Also Known As: Cyklabil|KST-1A7956|(13s,17s)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-17-yl pentanoate-(8r,9s,10r,14s)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one(1:1)(non-preferred name)|(8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
| Molecular Formula | C44H60O5 |
|---|---|
| Molecular Weight | 668.4441 g/mol |
| LogP | 9.2329 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 668.4441 |
| Monoisotopic Mass | 668.4441 |
| Heavy Atoms | 49 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 7356-32-3 |
|---|---|
| SMILES | CCCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCC4=C3C=CC(=C4)O)C.CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)CC[C@H]34 |
| InChIKey | WFHDOIKSUKQTLH-OEMPZTTMSA-N |
Product Overview
Cyklabil (CAS 7356-32-3), with molecular formula C44H60O5 and molecular weight 668.4441 g/mol. IUPAC: (8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate.
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