CAS: 18942-26-2 - CHEBULINIC ACID
Formula:C41H32O27
InChI:InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30+,31+,33?,34+,41-/m0/s1
InChI key:InChIKey=YGVHOSGNOYKRIH-REKMSKHASA-N
SMILES:O=C(O)CC1C(=O)OC2C(OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C=5OC(=O)C(O)C1C54)C2OC(=O)C6=CC(O)=C(O)C(O)=C6)COC(=O)C7=CC(O)=C(O)C(O)=C7
- Synonyms:
- (3,15,16-Trihydroxy-2,5,13-Trioxo-10,17-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]-8-{[(3,4,5-Trihydroxybenzoyl)Oxy]Methyl}-2,3,3A,4,5,7,8,10,11,13-Decahydro-7,11-Methano[1,4,7]Trioxacyclotridecino[11,10,9-De]Chromen-4-Yl)Acetic Acid
- 7,11-Methanopyrano[4,3,2-kl][2,5,8]benzotrioxacyclotridecin, β-<span class="text-smallcaps">D</span>-glucopyranose deriv.
- Eutannin
- NSC 69862
- Nsc69862
- [(3S,3aS,4R,7R,8R,10S,11R,17S)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid
- [(3S,3aS,4S,7R,8R,10S,11R,17S)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid
- [(3S,4S)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid
- β-<span class="text-smallcaps">D</span>-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 2→2:4→1-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid