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Cholest-4-en-3-one, 2,2-dimethyl-
SpectraBase Compound ID H1oDTyVbYj
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3/t20-,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey HFSRHZOGMOYJSI-KDORWMGUSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g34HG0ArvE
Name Cholest-4-en-3-one, 2,2-dimethyl-
CAS Registry Number 17305-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3/t20-,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey HFSRHZOGMOYJSI-KDORWMGUSA-N
Molecular Weight 412.702 g/mol
SMILES [C@@]12(C(=CC(C(C2)(C)C)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C
SPLASH splash10-03di-0004900000-201cbce4f84597f71a23
Source of Spectrum AJ-60-1080-20
Synonyms 2,2-Dimethylcholest-4-en-3-one 4-Oxa-a-homocholest-5-en-3.XI.-ol
Wiley ID 1374843