[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] ethanoate

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] ethanoate 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] acetate CAS Name: acetic 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] acetate Traditional Name: acetic 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: C28H37ClO8 MolecularWeight: 537.04158

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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)C

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)C

InChI

InChI=1S/C28H37ClO8/c1-6-11-35-24(34)37-28(23(33)15-36-17(3)30)16(2)12-21-20-8-7-18-13-19(31)9-10-25(18,4)27(20,29)22(32)14-26(21,28)5/h9-10,13,16,20-22,32H,6-8,11-12,14-15H2,1-5H3/t16-,20+,21+,22?,25+,26+,27+,28+/m1/s1