[(8R,9S,10S,13S,14R,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] 4-chloranylbutanoate

Systemtic Name: [(8R,9S,10S,13S,14R,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] 4-chloranylbutanoate Openeye Name: [(8R,9S,10S,13S,14R,15S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [(8R,9S,10S,13S,14R,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] ester IUPAC Name: [(8R,9S,10S,13S,14R,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [(8R,9S,10S,13S,14R,15S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] ester Formula: C31H51ClO2 MolecularWeight: 491.18844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CC(C2C1(CCC3C2CC=C4C3(CCCC4)C)C)OC(=O)CCCCl

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@H]2[C@]1(CC[C@H]3[C@H]2CC=C4[C@]3(CCCC4)C)C)OC(=O)CCCCl

InChI

InChI=1S/C31H51ClO2/c1-21(2)10-8-11-22(3)26-20-27(34-28(33)13-9-19-32)29-24-15-14-23-12-6-7-17-30(23,4)25(24)16-18-31(26,29)5/h14,21-22,24-27,29H,6-13,15-20H2,1-5H3/t22-,24-,25+,26-,27+,29+,30-,31+/m1/s1