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Cholest-5-ene-1,3,16,26-tetrol, (1.beta.,3.beta.,16.beta.)-
SpectraBase Compound ID 9yrcKikCo8T
InChI InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)25-23(30)14-22-20-9-8-18-12-19(29)13-24(31)27(18,4)21(20)10-11-26(22,25)3/h8,16-17,19-25,28-31H,5-7,9-15H2,1-4H3/t16?,17-,19-,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
InChIKey CTCREYUJLSDWPO-HQLIBQJGSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b4O3tNfZft
Name Cholest-5-ene-1,3,16,26-tetrol, (1.beta.,3.beta.,16.beta.)-
Alternate Name(s) (1beta,3beta,16beta)-cholest-5-ene-1,3,16,26-tetrol Cholest-5-ene-1.beta.,3.beta.,16.beta.,26-tetrol
CAS Registry Number 79037-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)25-23(30)14-22-20-9-8-18-12-19(29)13-24(31)27(18,4)21(20)10-11-26(22,25)3/h8,16-17,19-25,28-31H,5-7,9-15H2,1-4H3/t16?,17-,19-,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
InChIKey CTCREYUJLSDWPO-HQLIBQJGSA-N
Molecular Weight 434.661 g/mol
SMILES O[C@]1(C[C@]([C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCCC(CO)C)(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)(O)[H])[H]
SPLASH splash10-02t9-0001900000-7d01b473a46afb99dd83
Source of Spectrum F-37-602-0
Wiley ID 1383081