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1.alpha.,4,4-Trimethyl-5.alpha.-cholestan-3-one

View entire compound with spectra: 1 MS (GC)

1.alpha.,4,4-Trimethyl-5.alpha.-cholestan-3-one
SpectraBase Compound ID 6VFE0yB0rr4
InChI InChI=1S/C30H52O/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/h19-26H,9-18H2,1-8H3/t20-,21+,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey OJQQRCRWFOTGQG-MQBSBZSISA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vbqvIaZk8i
Name 1.alpha.,4,4-Trimethyl-5.alpha.-cholestan-3-one
Alternate Name(s) (1alpha,5alpha)-1,4,4-trimethylcholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/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/h19-26H,9-18H2,1-8H3/t20-,21+,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey OJQQRCRWFOTGQG-MQBSBZSISA-N
Molecular Weight 428.745 g/mol
SMILES [C@@]12([C@](C(C)(C)C(C[C@@]2(C)[H])=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 splash10-004j-3033900000-054d74d90e153656d164
Source of Spectrum KC-1992-1853-13
Wiley ID 776573