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

*Links on SpectraBase are not permalinks.

SIMPLEXIN_I

Compound with spectra: 1 NMR

SIMPLEXIN_I
SpectraBase Compound ID GjSYk9l3r8f
InChI InChI=1S/C26H42O9/c1-13(2)20-17(30)11-26(8,35-16(5)29)22-18-12-24(6,31)19(32-14(3)27)9-10-25(7,34-15(4)28)23(33-18)21(20)22/h13,17-23,30-31H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26-/m1/s1
InChIKey CMFFEVGUTXFGMQ-LXISNSFKSA-N
Mol Weight 498.6 g/mol
Molecular Formula C26H42O9
Exact Mass 498.282883 g/mol
Enantiomer InChIKey CMFFEVGUTXFGMQ-STRWIQDNSA-N

View Spectrum of SIMPLEXIN_I

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
Simplexins A−I, Eunicellin-Based Diterpenoids from the Soft Coral Klyxum simplex Journal of Natural Products 2009

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.