[(8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-3-oxidanylidene-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl ethanoate

Systemtic Name: [(8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-3-oxidanylidene-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl ethanoate Openeye Name: [(8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexoxy)-13-methyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate CAS Name: acetic acid [(8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl ester IUPAC Name: [(8R,9S,10S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate Traditional Name: acetic acid [(8R,9S,10S,13S,14S,17S)-3-keto-17-(1-methoxycyclohexoxy)-13-methyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(=O)CC1=CCC3C2CCC4(C3CCC4OC5(CCCCC5)OC)C

Isomeric SMILES

CC(=O)OC[C@]12CCC(=O)CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC5(CCCCC5)OC)C

InChI

InChI=1S/C28H42O5/c1-19(29)32-18-27-16-11-21(30)17-20(27)7-8-22-23-9-10-25(26(23,2)15-12-24(22)27)33-28(31-3)13-5-4-6-14-28/h7,22-25H,4-6,8-18H2,1-3H3/t22-,23-,24-,25-,26-,27+/m0/s1