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#2;PICRORHIZOSIDE-A;2-[(4R,5S,7R,11R,12S,13S,21S)-11,17,18-TRIHYDROXY-2,10,14-TRIOXO-5,21-BIS-[(3,4,5-TRHYDROXYBENZOYL)-OXY]-7-[[(3,4,5-TRHYDROXYBENZOYL)-OXY]-
SpectraBase Compound ID CtKa5IUBOao
InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)64-31)14(8-23(49)50)39(60)65-32/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1
InChIKey NBDRKFCUMMWJSV-FJPMMHPYSA-N
Mol Weight 956.7 g/mol
Molecular Formula C41H32O27
Exact Mass 956.113096 g/mol
Enantiomer InChIKey NBDRKFCUMMWJSV-GBDNNIJPSA-N
Unknown Identification

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