$260.00
| CAS No.: | 41682-24-0 |
| Molecular Formula | C₃₃H₄₄O₁₆ |
| Molecular Weight | 696.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Lignans |
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IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
InChI: InChI=1S/C33H44O16/c1-42-19-6-4-15(10-21(19)43-2)8-17-13-45-31(41)18(17)9-16-5-7-20(22(11-16)44-3)47-33-30(40)28(38)26(36)24(49-33)14-46-32-29(39)27(37)25(35)23(12-34)48-32/h4-7,10-11,17-18,23-30,32-40H,8-9,12-14H2,1-3H3/t17-,18+,23+,24+,25+,26+,27-,28-,29+,30+,32+,33+/m0/s1
InChIKey: FEQSYBHDHIPRKS-QWNZGVGBSA-N
Canonical SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)OC
Isomeric SMILES: COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC)OC
Synonyms: Arctigenin 4′-O-beta-gentiobioside; 41682-24-0; Arctigenin 4′-O-; A-gentiobioside; arctigenin-4′-O-beta-gentiobioside; Arctigenin4′-O-beta-gentiobioside; HY-N2212; AKOS037515072; …
Botanical Source: Arctium lappa L.
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