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#1;TERNATIN-C1;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-(6-O-[(E)-4-O-(6-O-(E)-PARA-COUMARYL-BETA-D-GLUCOPYRANOSYL)-PARA-COUMARYL]-BETA-D-GLUCOPY
SpectraBase Compound ID Ikdlh1lCRXG
InChI InChI=1S/C60H64O34/c61-19-35-44(71)48(75)53(80)58(91-35)88-32-13-25(56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66)14-33(43(32)70)89-59-54(81)50(77)46(73)37(93-59)21-84-41(68)12-6-24-3-9-28(10-4-24)86-57-52(79)49(76)45(72)36(92-57)20-83-40(67)11-5-23-1-7-26(62)8-2-23/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38+,44-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-,55+,57-,58-,59-,60+/m1/s1
InChIKey FXZMULPLRTXRTF-JMLJMKQZSA-O
Mol Weight 1330.1 g/mol
Molecular Formula C60H65O34
Exact Mass 1329.335724 g/mol
Enantiomer InChIKey FXZMULPLRTXRTF-UFDVEKDGSA-O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6:CF3COOD=9:1
Title Journal or Book Year
Eight New Anthocyanins, Ternatins C1−C5 and D3 and Preternatins A3 and C4 from Young Clitoria ternatea Flowers Journal of Natural Products 1998
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