[17-[(E)-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] 6-bromanylhexanoate

Systemtic Name: [17-[(E)-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] 6-bromanylhexanoate Openeye Name: [17-[(E)-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] 6-bromohexanoate CAS Name: 6-bromohexanoic acid [17-[(E)-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)-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] 6-bromohexanoate Traditional Name: 6-bromohexanoic acid [17-[(E)-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: C35H57BrO2 MolecularWeight: 589.72988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCBr)C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C35H57BrO2/c1-7-26(24(2)3)13-12-25(4)30-16-17-31-29-15-14-27-23-28(38-33(37)11-9-8-10-22-36)18-20-34(27,5)32(29)19-21-35(30,31)6/h12-14,24-26,28-32H,7-11,15-23H2,1-6H3/b13-12+