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

*Links on SpectraBase are not permalinks.
SCOPARIC-ACID-A-METHYLESTER;METHYL-6-BENZOYL-12-HYDROXY-LABDA-8(17),13-DIEN-18-OATE
SpectraBase Compound ID QkLeqWVukU
InChI InChI=1S/C28H38O5/c1-19(14-17-29)12-13-22-20(2)18-23(33-25(30)21-10-7-6-8-11-21)24-27(22,3)15-9-16-28(24,4)26(31)32-5/h6-8,10-11,14,22-24,29H,2,9,12-13,15-18H2,1,3-5H3/b19-14+/t22-,23-,24?,27-,28-/m1/s1
InChIKey ZSOGLKWTMKROGL-FJHLEROASA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 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 Ei0ghqtWkFC
Name SCOPARIC-ACID-A-METHYLESTER;METHYL-6-BENZOYL-12-HYDROXY-LABDA-8(17),13-DIEN-18-OATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-19(14-17-29)12-13-22-20(2)18-23(33-25(30)21-10-7-6-8-11-21)24-27(22,3)15-9-16-28(24,4)26(31)32-5/h6-8,10-11,14,22-24,29H,2,9,12-13,15-18H2,1,3-5H3/b19-14+/t22-,23-,24?,27-,28-/m1/s1
InChIKey ZSOGLKWTMKROGL-FJHLEROASA-N
Literature Reference Author T.HAYASHI,M.KAWASAKI,K.OKAMURA,Y.TAMADA,N.MORITA,Y.TEZUKA,T. KIKUCHI,Y.MIWA,T.TAG
Literature Reference Citation J.NAT.PROD.,55,1748(1992)
Literature Reference DOI 10.1021/np50090a005
Molecular Weight 454.607 g/mol
Solvent CDCl3
Source File Reference UWCS3302