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TERNATIN-A3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3',5'-BIS-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-DELPHINIDIN
SpectraBase Compound ID 3Za0DCp9mA5
InChI InChI=1S/C66H74O39.C2HF3O2/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)58(89)64(103-38)98-33-13-26(61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72)14-34(45(33)76)99-65-59(90)54(85)49(80)39(104-65)22-93-43(74)12-6-25-3-9-29(10-4-25)96-63-57(88)52(83)47(78)37(20-68)102-63;3-2(4,5)1(6)7/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76);(H,6,7)/b11-5+,12-6+;/t36-,37-,38-,39+,40-,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,62-,63-,64-,65+,66-;/m1./s1
InChIKey RHQVVNOFRFKFGQ-JODWAYDHSA-N
Mol Weight 1605.3 g/mol
Molecular Formula C68H75F3O41
Exact Mass 1604.373586 g/mol
Parent InChIKey MVIFHGNGLIHLJI-HPOACESQSA-N
Enantiomer InChIKey RHQVVNOFRFKFGQ-OSZIQMDOSA-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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