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

*Links on SpectraBase are not permalinks.

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, ethyl ester, p-carboxycarbanilate, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, ethyl ester, p-carboxycarbanilate, ethyl ester
SpectraBase Compound ID KLjrrNb2Zkp
InChI InChI=1S/C29H33NO9/c1-6-36-23(31)15-9-17(3)8-14-21-25(35-5)18(4)22-16-38-28(33)24(22)26(21)39-29(34)30-20-12-10-19(11-13-20)27(32)37-7-2/h8,10-13H,6-7,9,14-16H2,1-5H3,(H,30,34)
InChIKey JJOKUPWNNJKDEP-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C29H33NO9
Exact Mass 539.215532 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D8G1ymh09r2
Name 6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-PHTHALANYL)-4-METHYL-4-HEXENOIC ACID, ETHYL ESTER, p-CARBOXYCARBANILATE, ETHYL ESTER
Source of Sample T. Mori, Chugai Pharmaceutical Company Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO9
InChI InChI=1S/C29H33NO9/c1-6-36-23(31)15-9-17(3)8-14-21-25(35-5)18(4)22-16-38-28(33)24(22)26(21)39-29(34)30-20-12-10-19(11-13-20)27(32)37-7-2/h8,10-13H,6-7,9,14-16H2,1-5H3,(H,30,34)
InChIKey JJOKUPWNNJKDEP-UHFFFAOYSA-N
Literature Reference J. ANTIBIOTICS, TOKYO 29, 275(1976)
Melting Point 148-150C
Molecular Weight 539.580994
Synonyms 4-HEXENOIC ACID, 6-/4-HYDROXY- 6-METHOXY-7-METHYL-3-OXO-5-PHTHALANYL/- 4-METHYL-, ETHYL ESTER, P-CARBOXY- CARBANILATE, ETHYL ESTER
Technique KBr WAFER