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(20S)-5-12(13->14)-abeo-5.alpha.-cholesta-8,13(17)-diene
SpectraBase Compound ID 2HQesAhIKQj
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-17-27(21(23)4)18-15-24-25(27)13-12-22-11-6-7-16-26(22,24)5/h19-20,22H,6-18H2,1-5H3/t20-,22+,26-,27-/m0/s1
InChIKey LAHZLWICWZKZRT-DRTLDKAOSA-N
Mol Weight 368.6 g/mol
Molecular Formula C27H44
Exact Mass 368.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zqHFNaBk0
Name (20S)-5-12(13->14)-abeo-5.alpha.-cholesta-8,13(17)-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-17-27(21(23)4)18-15-24-25(27)13-12-22-11-6-7-16-26(22,24)5/h19-20,22H,6-18H2,1-5H3/t20-,22+,26-,27-/m0/s1
InChIKey LAHZLWICWZKZRT-DRTLDKAOSA-N
Molecular Weight 368.649 g/mol
SMILES [C@@]12(C3=C([C@@]4(C)CCCC[C@@]4(CC3)[H])CC2)C(=C([C@](CCCC(C)C)(C)[H])CC1)C
SPLASH splash10-0pb9-1797000000-77dc2cdfc18c30fbe6db
Source of Spectrum H-79-997-16
Synonyms (1S,1'S,9'R)-1',2-dimethyl-3-[(2S)-6-methylheptan-2-yl]spiro[cyclopentane-1,5'-tricyclo[7.4.0.0(2,6)]tridecane]-2,2'(6')-diene
Wiley ID 1353470