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COHAERIN-B;3-(2-METHYL-4-HYDROXY-6-OXO-1-CYCLOHEXENYL)-(7S)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL-2-METHYL-(2E)-OCTENOATE

View entire compound with spectra: 1 NMR

COHAERIN-B;3-(2-METHYL-4-HYDROXY-6-OXO-1-CYCLOHEXENYL)-(7S)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL-2-METHYL-(2E)-OCTENOATE
SpectraBase Compound ID 5x2GD8BR7Le
InChI InChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1
InChIKey GKVWLPVTYNGYQO-TZNQKNEJSA-N
Mol Weight 454.52 g/mol
Molecular Formula C26H30O7
Exact Mass 454.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfGDopmgTMr
Name COHAERIN-B;3-(2-METHYL-4-HYDROXY-6-OXO-1-CYCLOHEXENYL)-(7S)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL-2-METHYL-(2E)-OCTENOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O7
InChI InChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1
InChIKey GKVWLPVTYNGYQO-TZNQKNEJSA-N
Literature Reference Author D.N.QUANG,T.HASHIMOTO,Y.NOMURA,H.WOLLWEBER,V.HELLWIG,J.FOURN IER,M.STADLER,Y.ASA
Literature Reference Citation PHYTOCHEM.,66,797(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.02.006
Molecular Weight 454.520 g/mol
Solvent CDCl3
Source File Reference UWLU32541