[2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methanesulfonate

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methanesulfonate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-[butoxy(oxo)methoxy]-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H40O9S MolecularWeight: 540.6661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COS(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COS(=O)(=O)C

InChI

InChI=1S/C27H40O9S/c1-5-6-13-34-24(31)36-27(22(30)16-35-37(4,32)33)12-10-20-19-8-7-17-14-18(28)9-11-25(17,2)23(19)21(29)15-26(20,27)3/h14,19-21,23,29H,5-13,15-16H2,1-4H3/t19-,20-,21-,23+,25-,26-,27-/m0/s1