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4,4-Dimethyl-5-.alpha.-cholest-1-en-3-one
SpectraBase Compound ID KO7m4lznB3p
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h16,18-25H,8-15,17H2,1-7H3/t20-,21?,22-,23?,24?,25+,28-,29-/m1/s1
InChIKey AQYXYCCGEHTEOF-NGILDRMQSA-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 E4BVsRiw8Tq
Name 4,4-Dimethyl-5-.alpha.-cholest-1-en-3-one
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)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h16,18-25H,8-15,17H2,1-7H3/t20-,21?,22-,23?,24?,25+,28-,29-/m1/s1
InChIKey AQYXYCCGEHTEOF-NGILDRMQSA-N
Molecular Weight 412.702 g/mol
SMILES [C@@]12([C@](C(C)(C)C(C=C2)=O)(CCC2C3CC[C@@]([C@]3(CCC12)C)([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-03di-0011900000-0076930008aad463f2d2
Source of Spectrum KC-1992-431-6
Synonyms (5alpha)-4,4-dimethylcholest-1-en-3-one
Wiley ID 776127