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

*Links on SpectraBase are not permalinks.
(3S,4R)-4-[4-[[(E)-4-hydroxy-2-methyl-but-2-enoyl]amino]butylcarbamoyl]-2-(4-hydroxyphenyl)-5-keto-6,8-dimethoxy-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylic acid
SpectraBase Compound ID B0JrvD1iCgf
InChI InChI=1S/C35H38N2O10/c1-21(15-18-38)32(41)36-16-7-8-17-37-33(42)29-30(22-9-5-4-6-10-22)35(34(43)44,23-11-13-24(39)14-12-23)47-27-20-25(45-2)19-26(46-3)28(27)31(29)40/h4-6,9-15,19-20,29-30,38-39H,7-8,16-18H2,1-3H3,(H,36,41)(H,37,42)(H,43,44)/b21-15+/t29-,30-,35?/m1/s1
InChIKey PRGTYLFBJVWLAJ-KVAHCJLMSA-N
Mol Weight 646.7 g/mol
Molecular Formula C35H38N2O10
Exact Mass 646.252645 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 3M4pToXMAWV
Name (3S,4R)-4-[4-[[(E)-4-hydroxy-2-methyl-but-2-enoyl]amino]butylcarbamoyl]-2-(4-hydroxyphenyl)-5-keto-6,8-dimethoxy-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylic acid
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H38N2O10
InChI InChI=1S/C35H38N2O10/c1-21(15-18-38)32(41)36-16-7-8-17-37-33(42)29-30(22-9-5-4-6-10-22)35(34(43)44,23-11-13-24(39)14-12-23)47-27-20-25(45-2)19-26(46-3)28(27)31(29)40/h4-6,9-15,19-20,29-30,38-39H,7-8,16-18H2,1-3H3,(H,36,41)(H,37,42)(H,43,44)/b21-15+/t29-,30-,35?/m1/s1
InChIKey PRGTYLFBJVWLAJ-KVAHCJLMSA-N
Literature Reference Author X.CHAIDIR,W.H.LIN,R.EBEL,R.EDRADA,V.WRAY,M.NIMTZ,W.SUMARYONO ,P.PROKSCH
Literature Reference Citation J.NAT.PROD.,64,1216(2001)
Literature Reference DOI 10.1021/np0102354
Molecular Weight 646.694 g/mol
Solvent CD3OD
Source File Reference UWSI1946