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Cholest-5-en-3-ol, 3,4,4-trimethyl-, (3.beta.)-
SpectraBase Compound ID 3rngocLju8A
InChI InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-27(4,5)30(8,31)19-18-29(26,7)25(22)16-17-28(23,24)6/h15,20-25,31H,9-14,16-19H2,1-8H3/t21-,22+,23-,24+,25+,28-,29-,30+/m1/s1
InChIKey LJVPJECTSIZDRM-TVQSGDIGSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RQllM1ASEK
Name Cholest-5-en-3-ol, 3,4,4-trimethyl-, (3.beta.)-
Alternate Name(s) (3beta)-3,4,4-trimethylcholest-5-en-3-ol 3.beta.-hydroxy-3.alpha.,4,4-trimethylcholest-5-ene
CAS Registry Number 72340-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-27(4,5)30(8,31)19-18-29(26,7)25(22)16-17-28(23,24)6/h15,20-25,31H,9-14,16-19H2,1-8H3/t21-,22+,23-,24+,25+,28-,29-,30+/m1/s1
InChIKey LJVPJECTSIZDRM-TVQSGDIGSA-N
Molecular Weight 428.745 g/mol
SMILES O[C@@]1(C(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])(CC1)C)(C)C)C
SPLASH splash10-0a4i-0009200000-94b9ee84f0273c62d653
Source of Spectrum KC-1981-248-0
Wiley ID 1381021