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Cholest-1-en-3-one, (5.alpha.)-
SpectraBase Compound ID C1AqUUFfmbO
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3
InChIKey IIPHPVVRBVBREZ-UHFFFAOYSA-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 7qHZ7HxQBp4
Name Cholest-1-en-3-one, (5.alpha.)-
Alternate Name(s) 1-Coprosten-3-one Cholest-1-en-3-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 5.alpha.-Cholest-1-en-3-one
CAS Registry Number 19202-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3
InChIKey IIPHPVVRBVBREZ-UHFFFAOYSA-N
Molecular Weight 384.648 g/mol
SMILES C1(=O)C=CC2(C3CCC4(C(C3CCC2C1)CCC4C(C)CCCC(C)C)C)C
SPLASH splash10-05fr-5921000000-8c119407663c81324474
Wiley ID 1475220