2-[4-[(8S,13S,14S)-13-methyl-3,17-bis(oxidanylidene)-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[4-[(8S,13S,14S)-13-methyl-3,17-bis(oxidanylidene)-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl methanesulfonate Openeye Name: 2-[4-[(8S,13S,14S)-13-methyl-3,17-dioxo-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[(8S,13S,14S)-13-methyl-3,17-dioxo-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl ester IUPAC Name: 2-[4-[(8S,13S,14S)-13-methyl-3,17-dioxo-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[(8S,13S,14S)-3,17-diketo-13-methyl-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]ethyl ester Formula: C27H32O6S MolecularWeight: 484.60438

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C3C(C1CCC2=O)CCC4=C3CCC(=O)C4)C5=CC=C(C=C5)OCCOS(=O)(=O)C

Isomeric SMILES

C[C@]12CC(=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4)C5=CC=C(C=C5)OCCOS(=O)(=O)C

InChI

InChI=1S/C27H32O6S/c1-27-16-23(17-3-7-20(8-4-17)32-13-14-33-34(2,30)31)26-21-10-6-19(28)15-18(21)5-9-22(26)24(27)11-12-25(27)29/h3-4,7-8,22,24H,5-6,9-16H2,1-2H3/t22-,24-,27-/m0/s1