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5.beta-Cholest-7-en-3-one

View entire compound with spectra: 1 MS (GC)

5.beta-Cholest-7-en-3-one
SpectraBase Compound ID Dch9MploxLf
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1
InChIKey FLRPNSKUGCVRRB-GFWJTQLASA-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 ChIdaLR6B8h
Name 5.beta-Cholest-7-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1
InChIKey FLRPNSKUGCVRRB-GFWJTQLASA-N
Molecular Weight 384.648 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC(C[C@]2(CC1)[H])=O)C)[H])[H]
SPLASH splash10-0f89-0209000000-b9b8decdf1a481f17a60
Source of Spectrum F-47-7077-12
Synonyms (5beta)-cholest-7-en-3-one 5..beta.-cholest-7-en-3-one (5R,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1361990