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

*Links on SpectraBase are not permalinks.

9(11)-Dehydroergosteryl benzoate

View entire compound with spectra: 1 NMR

9(11)-Dehydroergosteryl benzoate
SpectraBase Compound ID 5mOHHoOWnPD
InChI InChI=1S/C35H46O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-15,19,23-25,28,30-31H,16-18,20-22H2,1-6H3/b13-12+
InChIKey QDPXAUKTOSGGPE-OUKQBFOZSA-N
Mol Weight 498.8 g/mol
Molecular Formula C35H46O2
Exact Mass 498.349781 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 AJWmXkebSlm
Name 9(11)-Dehydroergosteryl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.349780719 u
Formula C35H46O2
InChI InChI=1S/C35H46O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-15,19,23-25,28,30-31H,16-18,20-22H2,1-6H3/b13-12+
InChIKey QDPXAUKTOSGGPE-OUKQBFOZSA-N
Molecular Weight 498.751 g/mol
SMILES C1(CCC2(C(C1)=CC=C1C2=CCC2(C1CCC2C(\C=C\C(C)C(C)C)C)C)C)OC(C1=CC=CC=C1)=O