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5-ALPHA-CHOLESTAN-2-BETA-OL
SpectraBase Compound ID Hf1MSOE5kJE
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey IANFNNPXOUVDGW-VBWRGJNHSA-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 FZlVQleEGyB
Name (2R,5S,8R,9S,10S,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-2-ol
Alternate Name(s) (2R,5S,8R,9S,10S,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-2-ol
CAS Registry Number 604-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey IANFNNPXOUVDGW-VBWRGJNHSA-N
Molecular Weight 388.680 g/mol
SMILES O[C@@]1(CC[C@@]2(CC[C@]3([C@@]4(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CC[C@@]3([C@]2(C1)C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0b9d-8119000000-b973e81115cf007ba019
Source of Spectrum U-1995-895-9
Wiley ID 766877