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

*Links on SpectraBase are not permalinks.
SECO-XESTOVANIN-A
SpectraBase Compound ID FT6Iy3Bhkgv
InChI InChI=1S/C42H68O12/c1-22(2)13-17-30(43)24(5)16-20-33(45)42(10)21-11-12-29(42)26(7)31(44)18-15-25(6)32(19-14-23(3)4)53-40-38(50)36(48)39(28(9)52-40)54-41-37(49)35(47)34(46)27(8)51-41/h13-16,26-30,32,34-41,43,46-50H,11-12,17-21H2,1-10H3/b24-16+,25-15+/t26-,27+,28+,29?,30?,32?,34+,35-,36+,37-,38+,39-,40-,41+,42-/m0/s1
InChIKey AYAPNMKZGPQYJA-IPGFLMBBSA-N
Mol Weight 765.0 g/mol
Molecular Formula C42H68O12
Exact Mass 764.471078 g/mol
Enantiomer InChIKey AYAPNMKZGPQYJA-RJSCAUJFSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Xestovanin A and secoxestovanin A, triterpenoid glycosides with new carbon skeletons from the sponge Xestospongia vanilla Journal of the American Chemical Society 1989

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.

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.