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THUNBERGOL-B;10-(3,4-DIHYDRO-5-HYDROXY-7-METHYL-1-BENZOFURAN-2-YL)-10-HYDROXY-6-METHYL-2-(4-METHYL-3-PENTENYL)-(2E,6E)-UNDECADIENOIC-ACID

View entire compound with spectra: 1 NMR

THUNBERGOL-B;10-(3,4-DIHYDRO-5-HYDROXY-7-METHYL-1-BENZOFURAN-2-YL)-10-HYDROXY-6-METHYL-2-(4-METHYL-3-PENTENYL)-(2E,6E)-UNDECADIENOIC-ACID
SpectraBase Compound ID EPXh3dHbrdV
InChI InChI=1S/C27H38O5/c1-18(2)9-6-12-21(26(29)30)13-7-10-19(3)11-8-14-27(5,31)24-17-22-16-23(28)15-20(4)25(22)32-24/h9,11,13,15-16,24,28,31H,6-8,10,12,14,17H2,1-5H3,(H,29,30)/b19-11+,21-13-
InChIKey YZHTYWFHNCTOEN-LADKKCNBSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0Ac7qjSZGM
Name THUNBERGOL-B;10-(3,4-DIHYDRO-5-HYDROXY-7-METHYL-1-BENZOFURAN-2-YL)-10-HYDROXY-6-METHYL-2-(4-METHYL-3-PENTENYL)-(2E,6E)-UNDECADIENOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-18(2)9-6-12-21(26(29)30)13-7-10-19(3)11-8-14-27(5,31)24-17-22-16-23(28)15-20(4)25(22)32-24/h9,11,13,15-16,24,28,31H,6-8,10,12,14,17H2,1-5H3,(H,29,30)/b19-11+,21-13-
InChIKey YZHTYWFHNCTOEN-LADKKCNBSA-N
Literature Reference Author Y.SEO,K.E.PARK,Y.A.KIM,H.J.LEE,J.S.YOO,J.W.AHN,B.J.LEE
Literature Reference Citation CHEM.PHARM.BULL.,54,1730(2006)
Literature Reference DOI 10.1248/cpb.54.1730
Molecular Weight 442.596 g/mol
Sample ID 55352
Solvent CDCl3