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5-ALPHA-CHOLESTAN-4-BETA-OL

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-ALPHA-CHOLESTAN-4-BETA-OL
SpectraBase Compound ID AqYplq0rvwQ
InChI InChI=1S/C27H48O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey GMYIQXIETNKRRM-RPVPIKDYSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AuSlFlGepS
Name (4S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol
Alternate Name(s) (4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol
CAS Registry Number 566-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey GMYIQXIETNKRRM-RPVPIKDYSA-N
Molecular Weight 388.680 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC1)C)[H])[H]
SPLASH splash10-00sr-0098000000-39ba6f6a7a8e01bae198
Source of Spectrum KC-1989-408-8
Wiley ID 1364194