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#3;PICRORHIZOSIDE-B;2-[(5S,7R,25S,29R,30S,31S)-13,14,15,18,19,20,29,35,36-NONAHYDROXY-2,10,23,28,32-PENTAOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,24,27,33-HE

Compound with spectra: 1 NMR

#3;PICRORHIZOSIDE-B;2-[(5S,7R,25S,29R,30S,31S)-13,14,15,18,19,20,29,35,36-NONAHYDROXY-2,10,23,28,32-PENTAOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,24,27,33-HE
SpectraBase Compound ID L5TBrppFwRC
InChI InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-40(61)30(55)22-12(6-19(47)48)39(60)65-32-23(22)11(38(59)67-34)5-17(46)27(32)52)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18-,22-,30?,31-,33+,34-,41-/m0/s1
InChIKey ZIWWCIAPEHKSSJ-FHWKQWHASA-N
Mol Weight 954.7 g/mol
Molecular Formula C41H30O27
Exact Mass 954.097446 g/mol
Enantiomer InChIKey ZIWWCIAPEHKSSJ-BCBRULFTSA-N

View Spectrum of #3;PICRORHIZOSIDE-B;2-[(5S,7R,25S,29R,30S,31S)-13,14,15,18,19,20,29,35,36-NONAHYDROXY-2,10,23,28,32-PENTAOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,24,27,33-HE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Novel Lipid-Peroxidation- and Cyclooxygenase-Inhibitory Tannins fromPicrorhiza kurroa Seeds Chemistry & Biodiversity 2004
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