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Cholest-5-ene-1,3,16-triol, (1.alpha.,3.beta.,16.beta.)-
SpectraBase Compound ID F55s2zIpbAC
InChI InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)25-23(29)15-22-20-10-9-18-13-19(28)14-24(30)27(18,5)21(20)11-12-26(22,25)4/h9,16-17,19-25,28-30H,6-8,10-15H2,1-5H3/t17-,19-,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey RYTSYQAYFAFBEQ-FUTPKTADSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMWDMIGIIUP
Name Cholest-5-ene-1,3,16-triol, (1.alpha.,3.beta.,16.beta.)-
Alternate Name(s) (1alpha,3beta,16beta)-cholest-5-ene-1,3,16-triol Cholest-5-ene-1.alpha.,3.beta.,16.beta.-triol
CAS Registry Number 79037-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)25-23(29)15-22-20-10-9-18-13-19(28)14-24(30)27(18,5)21(20)11-12-26(22,25)4/h9,16-17,19-25,28-30H,6-8,10-15H2,1-5H3/t17-,19-,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey RYTSYQAYFAFBEQ-FUTPKTADSA-N
Molecular Weight 418.662 g/mol
SMILES O[C@@]1(CC2=CC[C@]3([C@]4([C@](CC[C@@]3([C@]2([C@](C1)(O)[H])C)[H])([C@]([C@](C4)(O)[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H]
SPLASH splash10-0udi-0004900000-4147cc31a46dc1afbe7c
Source of Spectrum F-37-603-0
Wiley ID 1377452