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

*Links on SpectraBase are not permalinks.

3-(Hydroxymethylene)-5.alpha.-cholestan-2-one

View entire compound with spectra: 1 MS (GC)

3-(Hydroxymethylene)-5.alpha.-cholestan-2-one
SpectraBase Compound ID E4XJ8Waa7HD
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-29)26(30)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey KSJHGRZGVZHOET-RTSMANDKSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 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 3UnlV8ZJSa
Name 3-(Hydroxymethylene)-5.alpha.-cholestan-2-one
Alternate Name(s) (5alpha)-3-(hydroxymethylene)cholestan-2-one 3-(Hydroxymethylene)-5.alpha.-cholestan-2.beta.-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-29)26(30)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey KSJHGRZGVZHOET-RTSMANDKSA-N
Molecular Weight 414.674 g/mol
SMILES O\C=C\1C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(CC1=O)C)[H]
SPLASH splash10-0aou-9110100000-7cb648675e19e75109e6
Source of Spectrum U-1995-895-11
Wiley ID 766875