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2,2-Dimethyl-5.alpha.-cholestan-3-one
SpectraBase Compound ID HYwNJM5EHAc
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h19-25H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey CDCRPVPZAHROEM-MVLCSKAPSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2I2qBH9RGc
Name 2,2-Dimethyl-5.alpha.-cholestan-3-one
Alternate Name(s) (5alpha)-2,2-dimethylcholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h19-25H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey CDCRPVPZAHROEM-MVLCSKAPSA-N
Molecular Weight 414.718 g/mol
SMILES C1(C(C[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(C)C)=O
SPLASH splash10-0btd-9351500000-cffb6fc0832e4e9e8275
Source of Spectrum U-1995-895-13
Wiley ID 766872