[2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methanesulfonate

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methanesulfonate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(8S,9R,10S,13S,14S,17R)-17-[butoxy(oxo)methoxy]-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H37ClO9S MolecularWeight: 573.09528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COS(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C(=O)COS(=O)(=O)C

InChI

InChI=1S/C27H37ClO9S/c1-5-6-13-35-23(32)37-26(22(31)16-36-38(4,33)34)12-10-19-20-8-7-17-14-18(29)9-11-24(17,2)27(20,28)21(30)15-25(19,26)3/h9,11,14,19-21,30H,5-8,10,12-13,15-16H2,1-4H3/t19-,20-,21?,24-,25-,26-,27-/m0/s1