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

*Links on SpectraBase are not permalinks.

#SI-5;1-BENZYL-1-[(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-16-(5-METHYLTHIOPHENE-2-CARBONYL)-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14)]-NONA

Compound with spectra: 1 NMR

#SI-5;1-BENZYL-1-[(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-16-(5-METHYLTHIOPHENE-2-CARBONYL)-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14)]-NONA
SpectraBase Compound ID Ivcj4K88lY3
InChI InChI=1S/C42H48N2O4S/c1-28-14-15-33(49-28)36(46)32-25-40-22-23-42(32)34(38(40,2)19-16-31(45)24-40)17-20-39(3)35(42)18-21-41(39,48)27-44(26-29-10-6-4-7-11-29)37(47)43-30-12-8-5-9-13-30/h4-15,22-23,25,31,34-35,45,48H,16-21,24,26-27H2,1-3H3,(H,43,47)/t31-,34+,35+,38+,39-,40-,41+,42+/m0/s1
InChIKey FNVJHXPLAVQKKA-XWELUHRUSA-N
Mol Weight 676.9 g/mol
Molecular Formula C42H48N2O4S
Exact Mass 676.333479 g/mol
Enantiomer InChIKey FNVJHXPLAVQKKA-IBSWRXHVSA-N

View Spectrum of #SI-5;1-BENZYL-1-[(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-16-(5-METHYLTHIOPHENE-2-CARBONYL)-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14)]-NONA

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
Small-Molecule Diversity Using a Skeletal Transformation Strategy Organic Letters 2005
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.