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

*Links on SpectraBase are not permalinks.

Anthraergostatetraenol benzoate

View entire compound with spectra: 1 NMR

Anthraergostatetraenol benzoate
SpectraBase Compound ID IBJJMSlywUI
InChI InChI=1S/C35H46O2/c1-22(2)23(3)12-13-24(4)32-16-17-33-31-21-27-20-28(37-34(36)26-10-8-7-9-11-26)14-15-29(27)25(5)30(31)18-19-35(32,33)6/h7-13,21-24,28,32-33H,14-20H2,1-6H3/b13-12+
InChIKey YIRMBJFKKVNTSM-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 J0vXwz1L2gt
Name Anthraergostatetraenol 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/c1-22(2)23(3)12-13-24(4)32-16-17-33-31-21-27-20-28(37-34(36)26-10-8-7-9-11-26)14-15-29(27)25(5)30(31)18-19-35(32,33)6/h7-13,21-24,28,32-33H,14-20H2,1-6H3/b13-12+
InChIKey YIRMBJFKKVNTSM-OUKQBFOZSA-N
Molecular Weight 498.751 g/mol
SMILES C1=C2C(=C(C3=C1CC(CC3)OC(C1=CC=CC=C1)=O)C)CCC1(C2CCC1C(\C=C\C(C(C)C)C)C)C