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Cholest-8(14)-en-15-one, (5.alpha.)-
SpectraBase Compound ID 3Uq3jRldVD6
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)23-17-24(28)25-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-20,22-23H,6-17H2,1-5H3/t19-,20-,22+,23-,26+,27-/m1/s1
InChIKey GAVPXTHOKWETNT-NDQFQIHFSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7L35x2mhenp
Name Cholest-8(14)-en-15-one, (5.alpha.)-
CAS Registry Number 40071-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)23-17-24(28)25-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-20,22-23H,6-17H2,1-5H3/t19-,20-,22+,23-,26+,27-/m1/s1
InChIKey GAVPXTHOKWETNT-NDQFQIHFSA-N
Molecular Weight 384.648 g/mol
SMILES C=12[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2=O)[H])(CC[C@]2(C1CC[C@]1(CCCC[C@]21C)[H])[H])C
SPLASH splash10-001r-4965000000-85a014be59268b75e590
Source of Spectrum SD-1981-0-0
Synonyms (5alpha)-cholest-8(14)-en-15-one (5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Wiley ID 1361957