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

Systemtic Name: [17-[(E)-3,4-bis(bromanyl)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [17-[(E)-2,3-dibromo-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [17-[(E)-3,4-dibromo-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-[(E)-3,4-dibromo-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [17-[(E)-2,3-dibromo-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H48Br2O2 MolecularWeight: 612.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)C(=C(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)Br)Br

Isomeric SMILES

CCC(C(C)C)/C(=C(/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)\Br)/Br

InChI

InChI=1S/C31H48Br2O2/c1-8-23(18(2)3)29(33)28(32)19(4)25-11-12-26-24-10-9-21-17-22(35-20(5)34)13-15-30(21,6)27(24)14-16-31(25,26)7/h9,18-19,22-27H,8,10-17H2,1-7H3/b29-28+