3,7,12-Tricaffeoylcholic acid

Molecular Formula: C₅₁H₅₈O₁₄

InChI: InChI=1/C51H58O14/c1-28(4-16-45(58)59)34-11-12-35-49-36(27-44(51(34,35)3)65-48(62)19-10-31-7-15-39(54)42(57)24-31)50(2)21-20-33(63-46(60)17-8-29-5-13-37(52)40(55)22-29)25-32(50)26-43(49)64-47(61)18-9-30-6-14-38(53)41(56)23-30/h5-10,13-15,17-19,22-24,28,32-36,43-44,49,52-57H,4,11-12,16,20-21,25-27H2,1-3H3,(H,58,59)/b17-8+,18-9+,19-10+/t28-,32+,33-,34-,35+,36+,43-,44+,49+,50+,51-/m1/s1/f/h58H

InChIKey: InChIKey=IVYNKQOIDZJJMP-QLJANJISDR
SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)O)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)O)C

Names:
    AIDS-123414
    AIDS123414
    (4R)-4-[(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-3,7,12-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    3,7,12-Tricaffeoylcholic acid

Registries:
    PubChem CID 6476981
    PubChem ID 219686