[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] 4-iodanylbutanoate

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] 4-iodanylbutanoate 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] 4-iodobutanoate CAS Name: 4-iodobutanoic 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] 4-iodobutanoate Traditional Name: 4-iodobutyric 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: C33H53IO2 MolecularWeight: 608.67719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53IO2/c1-7-24(22(2)3)11-10-23(4)28-14-15-29-27-13-12-25-21-26(36-31(35)9-8-20-34)16-18-32(25,5)30(27)17-19-33(28,29)6/h10-12,22-24,26-30H,7-9,13-21H2,1-6H3/b11-10+