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3.alpha.-Methylcholest-5-ene
SpectraBase Compound ID ARXtWCODtXW
InChI InChI=1S/C28H48/c1-19(2)8-7-9-21(4)24-12-13-25-23-11-10-22-18-20(3)14-16-27(22,5)26(23)15-17-28(24,25)6/h10,19-21,23-26H,7-9,11-18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey KIGRCOLRFFVKHG-NXGVQJHJSA-N
Mol Weight 384.7 g/mol
Molecular Formula C28H48
Exact Mass 384.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZTP2xllSGa
Name 3.alpha.-Methylcholest-5-ene
CAS Registry Number 64252-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48
InChI InChI=1S/C28H48/c1-19(2)8-7-9-21(4)24-12-13-25-23-11-10-22-18-20(3)14-16-27(22,5)26(23)15-17-28(24,25)6/h10,19-21,23-26H,7-9,11-18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey KIGRCOLRFFVKHG-NXGVQJHJSA-N
Molecular Weight 384.692 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@@](C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0100-0096000000-c5e5d9b073959463b878
Source of Spectrum J-43-578-0
Synonyms (3alpha)-3-methylcholest-5-ene (3R,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1362033