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

*Links on SpectraBase are not permalinks.

CALVASTEROL-B;9,ALPHA,14-ALPHA-DIHYDROXYERGOSTA-4,7,22-TRIENE-3,6-DIONE

Compound with spectra: 1 NMR

CALVASTEROL-B;9,ALPHA,14-ALPHA-DIHYDROXYERGOSTA-4,7,22-TRIENE-3,6-DIONE
SpectraBase Compound ID 5x8zNlT0WG6
InChI InChI=1S/C28H40O4/c1-17(2)18(3)7-8-19(4)21-10-12-27(31)24-16-23(30)22-15-20(29)9-11-25(22,5)28(24,32)14-13-26(21,27)6/h7-8,15-19,21,31-32H,9-14H2,1-6H3/b8-7+/t18-,19+,21-,25+,26-,27-,28-/m1/s1
InChIKey PPPHAARYIMWGSU-HXSMRBSCSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol
Enantiomer InChIKey PPPHAARYIMWGSU-BRKOASIISA-N

View Spectrum of CALVASTEROL-B;9,ALPHA,14-ALPHA-DIHYDROXYERGOSTA-4,7,22-TRIENE-3,6-DIONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Two steroids from Calvatia cyathiformis Phytochemistry 1995

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.