$350.00
| CAS No.: | 1403984-03-1 |
| Molecular Formula | C₂₅H₂₈O₁₂ |
| Molecular Weight | 520.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
| Weight |
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IUPAC Name: (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
InChI: InChI=1S/C25H28O12/c1-12-19-14(9-18(27)35-12)15(23(31)32)10-34-24(19)37-25-22(30)21(29)20(28)16(36-25)11-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,10,12,14,16,19-22,24-25,28-30H,9,11H2,1H3,(H,31,32)/b8-7+/t12-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey: XPUDIJARFNUSHK-YAXUBKDVSA-N
Canonical SMILES: CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)COC(=O)C=CC4=CC=CC=C4)O)O)O)C(=O)O
Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=CC=C4)O)O)O)C(=O)O
Synonyms: 6′-O-Cinnamoyl-8-epikingisidic acid; 1403984-03-1; 6/’-O-Cinnamoyl-8-epikingisidic acid; (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid; HY-N2721; AKOS040761214; FS-8819; CS-0023831
Botanical Source:
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