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3.beta.-Hydroxy-26,27-dimethylcholest-5-en-24-one
SpectraBase Compound ID 6glsH6Xcp4M
InChI InChI=1S/C29H48O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h9,19-20,22-26,30H,6-8,10-18H2,1-5H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey JSIBCXIICBLPNZ-HSIBUNQISA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YcUPrzV08D
Name 3.beta.-Hydroxy-26,27-dimethylcholest-5-en-24-one
CAS Registry Number 71031-59-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h9,19-20,22-26,30H,6-8,10-18H2,1-5H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey JSIBCXIICBLPNZ-HSIBUNQISA-N
Molecular Weight 428.701 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(=O)C(CC)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0229-9044800000-be5c02c97791f96a640c
Source of Spectrum J-44-3387-0
Synonyms (7R)-3-ethyl-7-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]octan-4-one
Wiley ID 1380945