$96.00
| CAS No.: | 11027-63-7 |
| Molecular Formula | C₂₂H₂₆O₁₁ |
| Molecular Weight | 466.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
| Weight |
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IUPAC Name: [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
InChI: InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
InChIKey: GLACGTLACKLUJX-QNAXTHAFSA-N
Canonical SMILES: C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: Agnuside; 11027-63-7; Agnoside; Buddlejoside A; (-)-Buddlejoside A; UNII-JB24Q0OT9G; JB24Q0OT9G; CHEBI:2515; …
Botanical Source: Vitex negundo fructus
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