For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2.alpha.-n-propylcholestan-3-one
SpectraBase Compound ID DMzrTmjzOFY
InChI InChI=1S/C30H52O/c1-7-9-22-19-30(6)23(18-28(22)31)12-13-24-26-15-14-25(21(4)11-8-10-20(2)3)29(26,5)17-16-27(24)30/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,29-,30+/m1/s1
InChIKey OMIDBMZBDFTVSV-KTEPKCFXSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CUIwHjU1jGa
Name 2.alpha.-n-propylcholestan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-7-9-22-19-30(6)23(18-28(22)31)12-13-24-26-15-14-25(21(4)11-8-10-20(2)3)29(26,5)17-16-27(24)30/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,29-,30+/m1/s1
InChIKey OMIDBMZBDFTVSV-KTEPKCFXSA-N
Molecular Weight 428.745 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CCC2CC(=O)[C@@](C1)(CCC)[H])[H])C
SPLASH splash10-000i-0009000000-a2c3a6dcf5111f52cfc8
Source of Spectrum KC-1976-12-0
Synonyms (2alpha)-2-propylcholestan-3-one
Wiley ID 1381017