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

View entire compound with spectra: 2 NMR, and 1 FTIR

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, ethyl ester, acetate
SpectraBase Compound ID L5RyGeAyxRI
InChI InChI=1S/C21H26O7/c1-6-26-17(23)10-8-12(2)7-9-15-19(25-5)13(3)16-11-27-21(24)18(16)20(15)28-14(4)22/h7H,6,8-11H2,1-5H3/b12-7+
InChIKey NHTPKACJHUPPLY-KPKJPENVSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GJR6bHF6SmW
Name 6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-PHTHALANYL)-4-METHYL-4-HEXENOIC ACID, ETHYL ESTER, ACETATE
Source of Sample T. Mori, Chugai Pharmaceutical Company Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-6-26-17(23)10-8-12(2)7-9-15-19(25-5)13(3)16-11-27-21(24)18(16)20(15)28-14(4)22/h7H,6,8-11H2,1-5H3/b12-7+
InChIKey NHTPKACJHUPPLY-KPKJPENVSA-N
Literature Reference J. ANTIBIOTICS, TOKYO 29, 275(1976)
Melting Point 66-67C
Molecular Weight 390.432007
Synonyms 4-HEXENOIC ACID, 6-/4-HYDROXY- 6-METHOXY-7-METHYL-3-OXO-5-PHTHALANYL/- 4-METHYL-, ETHYL ESTER, ACETATE
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)