[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] propan-2-yl carbonate

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] propan-2-yl carbonate 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] isopropyl carbonate CAS Name: carbonic 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] propan-2-yl 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] propan-2-yl carbonate Traditional Name: carbonic 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] isopropyl ester Formula: C30H44O9 MolecularWeight: 548.66496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)OC(C)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)COC(=O)OC(C)C

InChI

InChI=1S/C30H44O9/c1-6-7-14-36-27(35)39-30(24(33)17-37-26(34)38-18(2)3)13-11-22-21-9-8-19-15-20(31)10-12-28(19,4)25(21)23(32)16-29(22,30)5/h15,18,21-23,25,32H,6-14,16-17H2,1-5H3/t21-,22-,23-,25+,28-,29-,30-/m0/s1