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17-(1,5-Dimethylhexyl)-10,13-dimethyl-3-(2-methylbenzylidene)hexadecahydrocyclopenta[a]phenanthrene-2-carboxaldehyde
SpectraBase Compound ID 29Bdpq9myV2
InChI InChI=1S/C36H54O/c1-24(2)10-9-12-26(4)32-16-17-33-31-15-14-30-21-28(20-27-13-8-7-11-25(27)3)29(23-37)22-36(30,6)34(31)18-19-35(32,33)5/h7-8,11,13,20,23-24,26,29-34H,9-10,12,14-19,21-22H2,1-6H3/b28-20+
InChIKey PUSBXSGYRDHHNP-VFCFBJKWSA-N
Mol Weight 502.8 g/mol
Molecular Formula C36H54O
Exact Mass 502.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3HZNrGkK6C
Name 17-(1,5-Dimethylhexyl)-10,13-dimethyl-3-(2-methylbenzylidene)hexadecahydrocyclopenta[a]phenanthrene-2-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H54O
InChI InChI=1S/C36H54O/c1-24(2)10-9-12-26(4)32-16-17-33-31-15-14-30-21-28(20-27-13-8-7-11-25(27)3)29(23-37)22-36(30,6)34(31)18-19-35(32,33)5/h7-8,11,13,20,23-24,26,29-34H,9-10,12,14-19,21-22H2,1-6H3/b28-20+
InChIKey PUSBXSGYRDHHNP-VFCFBJKWSA-N
Molecular Weight 502.827 g/mol
SMILES c1cc(c(\C=C\2C(CC3(C4C(C5C(CC4)(C)C(CC5)C(CCCC(C)C)C)CCC3C2)C)C=O)cc1)C
SPLASH splash10-0zfr-7911030000-8cc43d2bc208893ecbd3
Synonyms (3E)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-[(2-methylphenyl)methylidene]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2-carbaldehyde (3E)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-[(2-methylphenyl)methylidene]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2-carboxaldehyde (3E)-17-(1,5-dimethylhexyl)-10,13-dimethyl-3-(2-methylbenzylidene)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2-carbaldehyde (3E)-17-(1,5-dimethylhexyl)-10,13-dimethyl-3-(o-tolylmethylene)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2-carbaldehyde 3-(2-Methylbenzylidene)cholestane-2-carbaldehyde Cholestane, 2-formyl-3-(2-methylbenzylidene)-
Wiley ID 1474948