#4;TERNATIN-C4;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-BETA-D-GLUCOPYRANOSYL-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-5'-O-BETA-D-GLUCOPYRANOSY

SpectraBase Compound ID	I08e9wkQsve
InChI	InChI=1S/C51H58O32/c52-13-27-35(61)39(65)43(69)48(80-27)75-20-4-1-17(2-5-20)3-6-32(58)73-15-29-37(63)41(67)45(71)50(82-29)78-25-8-18(7-24(34(25)60)77-49-44(70)40(66)36(62)28(14-53)81-49)47-26(11-21-22(55)9-19(54)10-23(21)76-47)79-51-46(72)42(68)38(64)30(83-51)16-74-33(59)12-31(56)57/h1-11,27-30,35-46,48-53,61-72H,12-16H2,(H3-,54,55,56,57,60)/p+1/b6-3+/t27-,28-,29-,30+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46+,48-,49-,50-,51+/m0/s1
InChIKey	LLDMWHWRSUPHJJ-PLVQDWHYSA-O Google Search
Mol Weight	1184.0 g/mol
Molecular Formula	C51H59O32
Exact Mass	1183.298945 g/mol

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SpectraBase Spectrum ID	Ch7PxGzX2Mz
Name	#4;TERNATIN-C4;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-BETA-D-GLUCOPYRANOSYL-PARA-COUMARYL]-BETA-D-GLUCOPYRANOSYL)-5'-O-BETA-D-GLUCOPYRANOSY
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C51H59O32
InChI	InChI=1S/C51H58O32/c52-13-27-35(61)39(65)43(69)48(80-27)75-20-4-1-17(2-5-20)3-6-32(58)73-15-29-37(63)41(67)45(71)50(82-29)78-25-8-18(7-24(34(25)60)77-49-44(70)40(66)36(62)28(14-53)81-49)47-26(11-21-22(55)9-19(54)10-23(21)76-47)79-51-46(72)42(68)38(64)30(83-51)16-74-33(59)12-31(56)57/h1-11,27-30,35-46,48-53,61-72H,12-16H2,(H3-,54,55,56,57,60)/p+1/b6-3+/t27-,28-,29-,30+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46+,48-,49-,50-,51+/m0/s1
InChIKey	LLDMWHWRSUPHJJ-PLVQDWHYSA-O
Literature Reference Author	N.TERAHARA,K.TOKI,N.SAITO,T.HONDA,T.MATSUI,Y.OSAJIMA
Literature Reference Citation	J.NAT.PROD.,61,1361(1998)
Literature Reference DOI	10.1021/np980160c
Molecular Weight	1184.010 g/mol
Solvent	DMSO-D6:CF3COOD=9:1
Source File Reference	UWCS19769