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

*Links on SpectraBase are not permalinks.

de-A,B-(24R)-24-[(Methoxymethyl)oxy]cholest-8-en-8-yl triflroromathanesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

de-A,B-(24R)-24-[(Methoxymethyl)oxy]cholest-8-en-8-yl triflroromathanesulfonate
SpectraBase Compound ID CexfkqIwrLJ
InChI InChI=1S/C21H35F3O5S/c1-14(2)18(28-13-27-5)11-8-15(3)16-9-10-17-19(7-6-12-20(16,17)4)29-30(25,26)21(22,23)24/h7,14-18H,6,8-13H2,1-5H3/t15-,16-,17+,18-,20-/m1/s1
InChIKey SOGVNRMMMYRACC-BFMVXSJESA-N
Mol Weight 456.6 g/mol
Molecular Formula C21H35F3O5S
Exact Mass 456.21573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 44rWki2yT7I
Name de-A,B-(24R)-24-[(Methoxymethyl)oxy]cholest-8-en-8-yl triflroromathanesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.215729885 u
Formula C21H35F3O5S
InChI InChI=1S/C21H35F3O5S/c1-14(2)18(28-13-27-5)11-8-15(3)16-9-10-17-19(7-6-12-20(16,17)4)29-30(25,26)21(22,23)24/h7,14-18H,6,8-13H2,1-5H3/t15-,16-,17+,18-,20-/m1/s1
InChIKey SOGVNRMMMYRACC-BFMVXSJESA-N
Molecular Weight 456.561 g/mol
SMILES C(S(OC=1[C@]2([C@]([C@@]([C@@](CC[C@](C(C)C)(OCOC)[H])(C)[H])(CC2)[H])(C)CCC1)[H])(=O)=O)(F)(F)F