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25-Hydroxycholesterol 3-acetate
SpectraBase Compound ID A08XzbHNUJG
InChI InChI=1S/C29H48O3/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/h9,19,22-26,31H,7-8,10-18H2,1-6H3/t19-,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey DSBZSDSUGSYUHV-KYFITKGOSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is8ONBZrUN9
Name 25-Hydroxycholesterol 3-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/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/h9,19,22-26,31H,7-8,10-18H2,1-6H3/t19-,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey DSBZSDSUGSYUHV-KYFITKGOSA-N
Molecular Weight 444.700 g/mol
SMILES OC(CCC[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC1)C)[H])(C)[H])(C)C
SPLASH splash10-00lr-0039000000-66edbfef56da7017bdad
Source of Spectrum K1-0-3703-31
Synonyms 25-Hydroxycholest-5-en-3-yl acetate
Wiley ID 1589255