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Cholestane-1,19-diol, (1.alpha.,5.alpha.)-
SpectraBase Compound ID 5TKDt9nEJFg
InChI InChI=1S/C27H48O2/c1-18(2)7-5-8-19(3)22-13-14-23-21-12-11-20-9-6-10-25(29)27(20,17-28)24(21)15-16-26(22,23)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1
InChIKey PFAIWIZOMYZKMK-PHKHAJRTSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WZbE7KJF47
Name Cholestane-1,19-diol, (1.alpha.,5.alpha.)-
Alternate Name(s) (1alpha,5alpha)-cholestane-1,19-diol 1.alpha.-hydroxy-19-hydroxymethyl-5.alpha.-cholestane 5.alpha.-cholestane-1.alpha.,19-diol
CAS Registry Number 28809-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)7-5-8-19(3)22-13-14-23-21-12-11-20-9-6-10-25(29)27(20,17-28)24(21)15-16-26(22,23)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1
InChIKey PFAIWIZOMYZKMK-PHKHAJRTSA-N
Molecular Weight 404.679 g/mol
SMILES O[C@]1(CCC[C@@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@@]12CO)[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-0ab9-0009000000-db8d95b31d8c0fa6383d
Source of Spectrum O-4-374-2
Wiley ID 1371578