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TERNATIN-B2;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3'-O-[6-O-[(E)-4-O-(6-O-(E)-P-COUMARYL-BETA-D-GLUCOPYRANOSYL)-P-COUMARYL]-BETA-D-GLUCOPYRAN
SpectraBase Compound ID GehUxhF1n1z
InChI InChI=1S/C75H80O41.C2HF3O2/c76-25-44-55(87)60(92)65(97)71(112-44)106-36-12-3-31(4-13-36)8-17-51(83)103-27-46-57(89)62(94)67(99)73(114-46)109-41-19-33(70-43(23-38-39(79)21-35(78)22-40(38)108-70)111-75-69(101)64(96)59(91)48(116-75)29-105-53(85)24-49(80)81)20-42(54(41)86)110-74-68(100)63(95)58(90)47(115-74)28-104-52(84)18-9-32-5-14-37(15-6-32)107-72-66(98)61(93)56(88)45(113-72)26-102-50(82)16-7-30-1-10-34(77)11-2-30;3-2(4,5)1(6)7/h1-23,44-48,55-69,71-76,87-101H,24-29H2,(H4-,77,78,79,80,81,82,86);(H,6,7)/b17-8+,18-9+;/t44-,45-,46-,47+,48-,55-,56-,57-,58+,59-,60+,61+,62+,63-,64+,65-,66-,67-,68+,69-,71-,72-,73-,74+,75-;/m1./s1
InChIKey QPYIIBNMPZFWEX-UPUXTQQYSA-N
Mol Weight 1751.4 g/mol
Molecular Formula C77H81F3O43
Exact Mass 1750.410366 g/mol
Parent InChIKey YLEBJIAONULAQO-YWICBTKJSA-N
Enantiomer InChIKey QPYIIBNMPZFWEX-POSKSWJUSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6:CF3COOD
Title Journal or Book Year
Five New Anthocyanins, Ternatins A3, B4, B3, B2, and D2, from Clitoria ternatea Flowers Journal of Natural Products 1996
Unknown Identification

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