| CAS Number | 65995-63-3 |
| Catalog Number | AG00IKLU(AGN-PC-0TJ02U) |
| Chemical Name | D-Glucose, cyclic4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]cyclic2,3-[(S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] |
| IUPAC Name | (1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone |
| InChI | InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1 |
| InChI Key | ZJVUMAFASBFUBG-UYMKNUMKSA-N |
| MDL Number | MFCD09838017 |
| Molecular Formula | C48H28O30 |
| Molecular Weight | 1084.7179 |
| SMILES | O=CC1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C7OC(=O)C=8C(=C(O)C(O)=C9OC(=O)C6=C7C98)C%10=C(O)C(O)=C(O)C=C%10C(=O)OCC4O |
| Synonyms | punicalagin,
Punicalagin,
65995-63-3,
Punicalagin, Technical grade,
C48H28O30,
Punicalagin, analytical standard,
MFCD09838017,
V1526,
Punicalagin, >=98% (HPLC), from pomegranate,
995P633,
Q-100754,
Pomegranate extract,
HSDB 8106,
ACN-035277,
C48-H28-O30,
C115642,
Punicalagins, 98%, from Punica granatum L. - 10MG 10mg,
D-Glucose, cyclic 4,6-(2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-1,6-diyl)bis(3,4,5-trihydroxybenzoate)) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-, (2(S),4(S,S))-,
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