ethyl 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarboxylate CAS Name: 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropane-1-carboxylate Traditional Name: 2-[(1R)-1-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarboxylic acid ethyl ester Formula: C31H48O6 MolecularWeight: 516.70922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C(C)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)OC(=O)C)C)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1CC1[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)C)C)OC(=O)C)C

InChI

InChI=1S/C31H48O6/c1-7-35-29(34)23-16-22(23)17(2)24-8-9-25-28-26(11-13-31(24,25)6)30(5)12-10-21(36-18(3)32)14-20(30)15-27(28)37-19(4)33/h17,20-28H,7-16H2,1-6H3/t17-,20+,21-,22?,23?,24-,25+,26+,27-,28+,30+,31-/m1/s1