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4,4-Dimethyl-2-hydroxy-5.alpha.-chloest-1-en-3-one
SpectraBase Compound ID JEuw09ra7Gq
InChI InChI=1S/C29H48O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-11-14-25-27(4,5)26(31)24(30)17-29(25,7)23(20)15-16-28(21,22)6/h17-23,25,30H,8-16H2,1-7H3/t19-,20+,21-,22+,23+,25+,28-,29-/m1/s1
InChIKey KFEOVSKVMPJDIM-UVAWHRLQSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N0TgITf4x6
Name 4,4-Dimethyl-2-hydroxy-5.alpha.-chloest-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-11-14-25-27(4,5)26(31)24(30)17-29(25,7)23(20)15-16-28(21,22)6/h17-23,25,30H,8-16H2,1-7H3/t19-,20+,21-,22+,23+,25+,28-,29-/m1/s1
InChIKey KFEOVSKVMPJDIM-UVAWHRLQSA-N
Molecular Weight 428.701 g/mol
SMILES OC1=C[C@]2([C@](C(C1=O)(C)C)(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH splash10-0693-9003400000-8df4d98f5309a275112a
Source of Spectrum AJ-61-4012-7
Synonyms (5alpha)-2-hydroxy-4,4-dimethylcholest-1-en-3-one
Wiley ID 1380964