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Cholest-7-ene, 3,6-dimethoxy-, (3.beta.,5.alpha.,6.alpha.)-
SpectraBase Compound ID 8bdI3MUsP7k
InChI InChI=1S/C29H50O2/c1-19(2)9-8-10-20(3)23-11-12-24-22-18-27(31-7)26-17-21(30-6)13-15-29(26,5)25(22)14-16-28(23,24)4/h18-21,23-27H,8-17H2,1-7H3/t20-,21+,23-,24+,25+,26-,27+,28-,29-/m1/s1
InChIKey MUIGWFDHIJOUDF-GCWICJQGSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kcr6dDAPJ3V
Name Cholest-7-ene, 3,6-dimethoxy-, (3.beta.,5.alpha.,6.alpha.)-
CAS Registry Number 79154-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)9-8-10-20(3)23-11-12-24-22-18-27(31-7)26-17-21(30-6)13-15-29(26,5)25(22)14-16-28(23,24)4/h18-21,23-27H,8-17H2,1-7H3/t20-,21+,23-,24+,25+,26-,27+,28-,29-/m1/s1
InChIKey MUIGWFDHIJOUDF-GCWICJQGSA-N
Molecular Weight 430.717 g/mol
SMILES C1=2[C@@]([C@]3(CC[C@@](C[C@@]3([C@](C2)(OC)[H])[H])(OC)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-001i-0001900000-81eaad8ba4cd499932a3
Source of Spectrum KC-1981-1861-0
Synonyms (3beta,5alpha,6alpha)-3,6-dimethoxycholest-7-ene 3.beta.,6.alpha.-dimethoxy-5.alpha.-cholest-7-ene
Wiley ID 1381822