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4alpha-methylcholest-8(14)-en-3-one

View entire compound with spectra: 1 MS (GC)

4alpha-methylcholest-8(14)-en-3-one
SpectraBase Compound ID 1N6z3gEfp0S
InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25H,7-17H2,1-6H3/t19-,20+,22-,23?,25+,27-,28+/m1/s1
InChIKey NKIIZBPMLZCHSN-GOZWNHMTSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AX9DDOHwsk
Name 4alpha-methylcholest-8(14)-en-3-one
CAS Registry Number 82038-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25H,7-17H2,1-6H3/t19-,20+,22-,23?,25+,27-,28+/m1/s1
InChIKey NKIIZBPMLZCHSN-GOZWNHMTSA-N
Molecular Weight 398.675 g/mol
SMILES C=12[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC([C@](C3CCC12)(C)[H])=O)C)[H])C
SPLASH splash10-0002-0079000000-e6fdde4b9a7bedc767da
Source of Spectrum W5-1989-33836-31700
Synonyms (4alpha)-4-methylcholest-8(14)-en-3-one 4.alpha.-methylcholest-8(14)-en-3-one
Wiley ID 1368818