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3-METHYLCHOLEST-1-EN-3-OL
SpectraBase Compound ID HR08M4NyWGs
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h16-17,19-25,29H,7-15,18H2,1-6H3/t20-,21?,22+,23-,24+,25+,26?,27+,28-/m1/s1
InChIKey DAXOIJKDDRKQSS-QFVYFAIWSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT6HXcl7RMy
Name 3-METHYLCHOLEST-1-EN-3-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.370516165 u
Formula C28H48O
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h16-17,19-25,29H,7-15,18H2,1-6H3/t20-,21?,22+,23-,24+,25+,26?,27+,28-/m1/s1
InChIKey DAXOIJKDDRKQSS-QFVYFAIWSA-N
Molecular Weight 400.691 g/mol
Nominal Mass 400 u
Number of Peaks 307
SMILES OC1(C=C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)C
SPLASH splash10-0a5l-9813000000-771572652922f052550f
Source File Reference LMCM-12301-833K
Synonyms 3-METHYLCHOLEST-1-EN-3-OL (1S,2R,10S,11S,14R,15R)-2,5,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-3-en-5-ol
Wiley ID 8_8247