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Benzoic acid, 10,13-dimethyl-17-(1-methylpent-4-ynyl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
SpectraBase Compound ID GfWedkfWlz3
InChI InChI=1S/C32H40O2/c1-5-6-10-22(2)27-15-16-28-26-14-13-24-21-25(34-30(33)23-11-8-7-9-12-23)17-19-31(24,3)29(26)18-20-32(27,28)4/h1,7-9,11-14,22,25,27-29H,6,10,15-21H2,2-4H3
InChIKey ITQRXDISJMFCRS-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C32H40O2
Exact Mass 456.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEZr2cFNTEF
Name Benzoic acid, 10,13-dimethyl-17-(1-methylpent-4-ynyl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
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Formula C32H40O2
InChI InChI=1S/C32H40O2/c1-5-6-10-22(2)27-15-16-28-26-14-13-24-21-25(34-30(33)23-11-8-7-9-12-23)17-19-31(24,3)29(26)18-20-32(27,28)4/h1,7-9,11-14,22,25,27-29H,6,10,15-21H2,2-4H3
InChIKey ITQRXDISJMFCRS-UHFFFAOYSA-N
Molecular Weight 456.670 g/mol
SMILES c1cc(C(OC2CC3=CC=C4C(C3(C)CC2)CCC2(C(CCC42)C(CCC#C)C)C)=O)ccc1
SPLASH splash10-053r-4933000000-1017170ffceb69434bf4
Synonyms (17-hex-5-yn-2-yl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) benzoate Androsta-5,7-dien-3-ol, 17-(1-methylpent-4-ynyl)-, benzoate benzoic acid (17-hex-5-yn-2-yl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester [10,13-dimethyl-17-(1-methylpent-4-ynyl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Wiley ID 1488186