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18-Nor-14beta-methyl-9,10-secocholesta-(5E)-5,10(19),13(17)-trien-3beta-ol
SpectraBase Compound ID 7LgWuRsCwJn
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-16-17-27(5)23(10-7-11-26(25)27)14-13-22-18-24(28)15-12-20(22)3/h13,19,21,23-24,28H,3,6-12,14-18H2,1-2,4-5H3/b22-13+/t21-,23-,24+,27-/m1/s1
InChIKey CCANCQSXEXNFJO-KGSGULGNSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlwAW0lS5Uf
Name 18-Nor-14beta-methyl-9,10-secocholesta-(5E)-5,10(19),13(17)-trien-3beta-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-16-17-27(5)23(10-7-11-26(25)27)14-13-22-18-24(28)15-12-20(22)3/h13,19,21,23-24,28H,3,6-12,14-18H2,1-2,4-5H3/b22-13+/t21-,23-,24+,27-/m1/s1
InChIKey CCANCQSXEXNFJO-KGSGULGNSA-N
Literature Reference DOI 10.1002/hlca.19800630413
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C\C(C(CC1)=C)=C/C[C@]1(CCCC=2[C@@]1(CCC2[C@](C)(CCCC(C)C)[H])C)[H])[H]
SPLASH splash10-05mn-8790000000-903a8d5636a86c5f0691
Source of Spectrum H-63-865-5
Synonyms (S,E)-3-(2-((7R,7aR)-7a-methyl-3-((R)-6-methylheptan-2-yl)-2,4,5,6,7,7a-hexahydro-1H-inden-7-yl)ethylidene)-4-methylenecyclohexan-1-ol
Wiley ID 1797450