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25-Hydroxy-5.alpha.-cholestan-3.beta.-yl acetate
SpectraBase Compound ID JxItGiEC7gH
InChI InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey JKKYDIZVQGOJLZ-HKPRBTTRSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B4gsA7wpNj
Name 25-Hydroxy-5.alpha.-cholestan-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey JKKYDIZVQGOJLZ-HKPRBTTRSA-N
Molecular Weight 446.716 g/mol
SMILES OC(CCC[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(C)[H])(C)C
SPLASH splash10-00kb-9075200000-c6f98b95511954985800
Source of Spectrum K-2001-2234-26
Synonyms (3beta,5alpha)-25-hydroxycholestan-3-yl acetate
Wiley ID 1579689