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#4;PICRORHIZOSIDE-C;2-[(4R,5S,7R,11R,12S,13S,21R)-11,17,18,21-TETRAHYDROXY-7-(HYDROXYMETHYL)-2,10,14-TRIOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,15-TETRAOXAT

View entire compound with spectra: 1 NMR

#4;PICRORHIZOSIDE-C;2-[(4R,5S,7R,11R,12S,13S,21R)-11,17,18,21-TETRAHYDROXY-7-(HYDROXYMETHYL)-2,10,14-TRIOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,15-TETRAOXAT
SpectraBase Compound ID CMQyYp2tNEq
InChI InChI=1S/C27H24O19/c28-5-12-20-19(37)22(27(42-12)46-23(38)6-1-9(29)16(34)10(30)2-6)45-24(39)7-3-11(31)17(35)21-15(7)14(18(36)26(41)43-20)8(4-13(32)33)25(40)44-21/h1-3,8,12,14,18-20,22,27-31,34-37H,4-5H2,(H,32,33)/t8-,12+,14-,18-,19-,20+,22+,27-/m0/s1
InChIKey HPUQNULNNRBZCQ-FXQVFZSJSA-N
Mol Weight 652.47 g/mol
Molecular Formula C27H24O19
Exact Mass 652.091179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uRzcDJgXM0
Name #4;PICRORHIZOSIDE-C;2-[(4R,5S,7R,11R,12S,13S,21R)-11,17,18,21-TETRAHYDROXY-7-(HYDROXYMETHYL)-2,10,14-TRIOXO-5-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-3,6,9,15-TETRAOXAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O19
InChI InChI=1S/C27H24O19/c28-5-12-20-19(37)22(27(42-12)46-23(38)6-1-9(29)16(34)10(30)2-6)45-24(39)7-3-11(31)17(35)21-15(7)14(18(36)26(41)43-20)8(4-13(32)33)25(40)44-21/h1-3,8,12,14,18-20,22,27-31,34-37H,4-5H2,(H,32,33)/t8-,12+,14-,18-,19-,20+,22+,27-/m0/s1
InChIKey HPUQNULNNRBZCQ-FXQVFZSJSA-N
Literature Reference Author Y.ZHANG,D.L.DEWITT,S.MURUGESAN,M.G.NAIR
Literature Reference Citation CHEM.BIODIV.,1,426(2004)
Literature Reference DOI 10.1002/cbdv.200490036
Molecular Weight 652.476 g/mol
Solvent DMSO-D6
Source File Reference UWLU21634