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

*Links on SpectraBase are not permalinks.

Cholan-16,22-epoxy-3.beta.,24-diol 3-o-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Cholan-16,22-epoxy-3.beta.,24-diol 3-o-acetyl-
SpectraBase Compound ID LAeixzgNXEy
InChI InChI=1S/C26H42O4/c1-15-22(9-12-27)30-23-14-21-19-6-5-17-13-18(29-16(2)28)7-10-25(17,3)20(19)8-11-26(21,4)24(15)23/h15,17-24,27H,5-14H2,1-4H3
InChIKey WIPKKWOQKRMXFJ-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 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 HR3vz9ImEB3
Name Cholan-16,22-epoxy-3.beta.,24-diol 3-o-acetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-15-22(9-12-27)30-23-14-21-19-6-5-17-13-18(29-16(2)28)7-10-25(17,3)20(19)8-11-26(21,4)24(15)23/h15,17-24,27H,5-14H2,1-4H3
InChIKey WIPKKWOQKRMXFJ-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCO)C)C)OC(=O)C