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1,4,4-Trimethyl-5.alpha.-cholest-1-en-3-one
SpectraBase Compound ID 6MuE6Iaksn
InChI InChI=1S/C30H50O/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(31)18-21(4)30(26,8)25(22)16-17-29(23,24)7/h18-20,22-26H,9-17H2,1-8H3/t20-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey DNYGWOPOUOQHLQ-ICGVCTMTSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GElEyeqdJeO
Name 1,4,4-Trimethyl-5.alpha.-cholest-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(31)18-21(4)30(26,8)25(22)16-17-29(23,24)7/h18-20,22-26H,9-17H2,1-8H3/t20-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey DNYGWOPOUOQHLQ-ICGVCTMTSA-N
Molecular Weight 426.729 g/mol
SMILES [C@@]12([C@](C(C)(C)C(C=C2C)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH splash10-0002-6719400000-7ee5614439d6ba4a67c1
Source of Spectrum KC-1992-1853-15
Synonyms (5alpha)-1,4,4-trimethylcholest-1-en-3-one
Wiley ID 776571