$96.00
| CAS No.: | 37064-30-5 |
| Molecular Formula | C₄₅H₃₈O₁₈ |
| Molecular Weight | 866.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
| Weight |
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IUPAC Name: (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
InChI: InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
InChIKey: MOJZMWJRUKIQGL-XILRTYJMSA-N
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
Isomeric SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
Synonyms: Procyanidin C1; 37064-30-5; Procyanidol C1; Proanthocyanidin C1; Cinnamtannin A1; Procyanidin trimer C1; (2R,2’R,2”R,3R,3’R,3”R,4R,4’S)-2,2′,2”-Tris(3,4-dihydroxyphenyl)-[4,8′:4′,8”-terchroman]-3,3′,3”,5,5′,5”,7,7′,7”-nonaol; UNII-33516LCW4F; …
Botanical Source: Crataegi fructus
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