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(3.alpha.,5.alpha.)-3,4,4-Ttmethylcholest-7-en-3-ol
SpectraBase Compound ID 3Reo6ki1xsd
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/h12,20-21,23-26,31H,9-11,13-19H2,1-8H3/t21-,23-,24+,25+,26?,28-,29-,30-/m1/s1
InChIKey CSDNJNDPTPJHNN-JABVBKFGSA-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 6aqPicF4nyY
Name (3.alpha.,5.alpha.)-3,4,4-Ttmethylcholest-7-en-3-ol
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/h12,20-21,23-26,31H,9-11,13-19H2,1-8H3/t21-,23-,24+,25+,26?,28-,29-,30-/m1/s1
InChIKey CSDNJNDPTPJHNN-JABVBKFGSA-N
Molecular Weight 428.745 g/mol
SMILES O[C@]1(C(C2CC=C3[C@@]([C@]2(CC1)C)(CC[C@]1([C@]3(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C)C)C
SPLASH splash10-052f-9000000000-73c5fe91a7b30f60ae22
Source of Spectrum J-61-866-18
Synonyms (3beta)-3,4,4-trimethylcholest-7-en-3-ol
Wiley ID 1381047