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17.alpha.,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate
SpectraBase Compound ID AVng7brN6I8
InChI InChI=1S/C29H50O4/c1-19(8-7-14-26(3,4)31)29(32)17-13-25-23-10-9-21-18-22(33-20(2)30)11-15-27(21,5)24(23)12-16-28(25,29)6/h19,21-25,31-32H,7-18H2,1-6H3/t19-,21+,22+,23?,24?,25?,27+,28+,29+/m1/s1
InChIKey GYHIWHLASJXYLD-XCSSMOOASA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKeqTqqxIa
Name 17.alpha.,25-Dihydroxy-5.alpha.-cholestan-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-19(8-7-14-26(3,4)31)29(32)17-13-25-23-10-9-21-18-22(33-20(2)30)11-15-27(21,5)24(23)12-16-28(25,29)6/h19,21-25,31-32H,7-18H2,1-6H3/t19-,21+,22+,23?,24?,25?,27+,28+,29+/m1/s1
InChIKey GYHIWHLASJXYLD-XCSSMOOASA-N
Molecular Weight 462.715 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)O)(C)[H])(C)C
SPLASH splash10-05nb-7089000000-6aaaec5ca7fafe424e3d
Source of Spectrum K-2001-2234-27
Synonyms (3beta,5alpha)-17,25-dihydroxycholestan-3-yl acetate
Wiley ID 1579687