#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 Google Search
Mol Weight	954.7 g/mol
Molecular Formula	C41H30O27
Exact Mass	954.097446 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4rmzTkiBNM0
Name	#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
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C41H30O27
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
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	954.673 g/mol
Solvent	DMSO-D6
Source File Reference	UWLU21633