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

Systemtic Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-1-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-1-chloro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[(8S,9S,10R,13S,14S,17R)-17-[butoxy(oxo)methoxy]-1-chloro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-1-chloro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-1-chloro-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C30H39ClO8 MolecularWeight: 563.07886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=C(C34C)Cl)O)C)C(=O)COC(=O)C5CC5

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C([C@]34C)Cl)O)C)C(=O)COC(=O)C5CC5

InChI

InChI=1S/C30H39ClO8/c1-4-5-12-37-27(36)39-30(24(34)16-38-26(35)17-6-7-17)11-10-21-20-9-8-18-13-19(32)14-23(31)29(18,3)25(20)22(33)15-28(21,30)2/h13-14,17,20-22,25,33H,4-12,15-16H2,1-3H3/t20-,21-,22?,25+,28-,29+,30-/m0/s1