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Ergostan-28-ol, 3-methoxy-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 5S5LR9bI55p
InChI InChI=1S/C29H52O2/c1-19(2)21(18-30)8-7-20(3)25-11-12-26-24-10-9-22-17-23(31-6)13-15-28(22,4)27(24)14-16-29(25,26)5/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey PEOYBWUPIMKXEF-HRJGVYIJSA-N
Mol Weight 432.7 g/mol
Molecular Formula C29H52O2
Exact Mass 432.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EiRodSBNFk
Name Ergostan-28-ol, 3-methoxy-, (3.beta.,5.alpha.)-
CAS Registry Number 124512-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O2
InChI InChI=1S/C29H52O2/c1-19(2)21(18-30)8-7-20(3)25-11-12-26-24-10-9-22-17-23(31-6)13-15-28(22,4)27(24)14-16-29(25,26)5/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey PEOYBWUPIMKXEF-HRJGVYIJSA-N
Molecular Weight 432.733 g/mol
SMILES OC[C@@](CC[C@]([C@@]1([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])[H])(CC1)[H])C)[H])(C)[H])(C(C)C)[H]
SPLASH splash10-001i-0041900000-52eff89278f8bb7d5d93
Source of Spectrum C-112-310-24
Synonyms (24S)-24-hydroxymethyl-3.beta.-methoxy-5.alpha.-cholestane (3beta,5alpha)-3-methoxyergostan-28-ol
Wiley ID 1382543