[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-bis(bromanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-bis(bromanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C31H50Br2O2 MolecularWeight: 614.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)Br)Br)C)C(C)C

Isomeric SMILES

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)Br)Br)C)C(C)C

InChI

InChI=1S/C31H50Br2O2/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-24-17-28(32)31(33)18-23(35-21(5)34)13-16-30(31,7)27(24)14-15-29(25,26)6/h9-10,19-20,22-28H,8,11-18H2,1-7H3/b10-9+/t20-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1