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4-HYDROXYTREMULACIN;4-HYDROXY-2-(1-HYDROXY-6-OXOCYCLOHEX-2-ENECARBONYLOXYMETHYL)-PHENYL-2-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

4-HYDROXYTREMULACIN;4-HYDROXY-2-(1-HYDROXY-6-OXOCYCLOHEX-2-ENECARBONYLOXYMETHYL)-PHENYL-2-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Jt9JCFxzT8c
InChI InChI=1S/C27H28O12/c28-13-19-21(31)22(32)23(39-24(33)15-6-2-1-3-7-15)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21-,22+,23-,25-,27?/m1/s1
InChIKey MDHRUEIHSUOCAT-LFMHJWGUSA-N
Mol Weight 544.51 g/mol
Molecular Formula C27H28O12
Exact Mass 544.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHGFgrpqJpS
Name 4-HYDROXYTREMULACIN;4-HYDROXY-2-(1-HYDROXY-6-OXOCYCLOHEX-2-ENECARBONYLOXYMETHYL)-PHENYL-2-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c28-13-19-21(31)22(32)23(39-24(33)15-6-2-1-3-7-15)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21-,22+,23-,25-,27?/m1/s1
InChIKey MDHRUEIHSUOCAT-LFMHJWGUSA-N
Literature Reference Author B.RASMUSSEN,A.J.NKURUNZIZA,M.WITT,H.A.OKETCH-RABAH,J.W.JAROS ZEWSKI,D.STAERK
Literature Reference Citation J.NAT.PROD.,69,1300(2006)
Literature Reference DOI 10.1021/np060204e
Molecular Weight 544.512 g/mol
Solvent CD3OD
Source File Reference UWMZ15478