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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)C(=O)COC(=O)C5CC5

Isomeric SMILES

CCCOC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)COC(=O)C5CC5

InChI

InChI=1S/C30H39ClO8/c1-5-12-37-26(36)39-30(24(34)16-38-25(35)18-6-7-18)17(2)13-22-21-9-8-19-14-20(32)10-11-27(19,3)29(21,31)23(33)15-28(22,30)4/h10-11,14,17-18,21-23,33H,5-9,12-13,15-16H2,1-4H3/t17-,21+,22+,23?,27+,28+,29+,30+/m1/s1