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Ergostan-3-ol, 23-methyl-, (3.beta.,5.alpha.,23R,24S)-
SpectraBase Compound ID 3y7GGqqLCD3
InChI InChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey KTGGCSVZUGUIFS-YVUVKDOHSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JM5rRZgTQ
Name Ergostan-3-ol, 23-methyl-, (3.beta.,5.alpha.,23R,24S)-
Alternate Name(s) (23R,24S)-23,24-dimethyl-5.alpha.-cholestan-3.beta.-ol (3beta,5alpha,23R,24S)-23-methylergostan-3-ol
CAS Registry Number 86708-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey KTGGCSVZUGUIFS-YVUVKDOHSA-N
Molecular Weight 416.734 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](C[C@]([C@](C(C)C)(C)[H])(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0159-0071900000-3a10a33fc016b851f90d
Source of Spectrum KC-1987-1303-29
Wiley ID 1376713