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(25S)-26-Methyl-24-methylene-cholest-4-en-3-one
SpectraBase Compound ID DFA1hvynifJ
InChI InChI=1S/C29H46O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-19,21,24-27H,3,7-17H2,1-2,4-6H3/t19-,21+,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey DHYHZNDBOUPDGR-PQVDILGLSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gf7JVS5C5fV
Name (25S)-26-Methyl-24-methylene-cholest-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-19,21,24-27H,3,7-17H2,1-2,4-6H3/t19-,21+,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey DHYHZNDBOUPDGR-PQVDILGLSA-N
Molecular Weight 410.686 g/mol
SMILES C1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCC([C@](CC)(C)[H])=C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O
SPLASH splash10-0903-9422000000-3a63e518f55ffac81693
Source of Spectrum X2-54-275-2
Synonyms (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,6S)-6-methyl-5-methylideneoctan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one
Wiley ID 1603881