$420.00 – $650.00
| CAS No.: | 157722-21-9 |
| Molecular Formula | C₂₃H₂₈O₁₃ |
| Molecular Weight | 512.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
IUPAC Name: (1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
InChI: InChI=1S/C23H28O13/c1-8-13(34-21(32)9-3-2-4-12(25)16(9)26)5-10-11(20(30)31)7-33-22(15(8)10)36-23-19(29)18(28)17(27)14(6-24)35-23/h2-4,7-8,10,13-15,17-19,22-29H,5-6H2,1H3,(H,30,31)/t8-,10+,13-,14+,15+,17+,18-,19+,22-,23-/m0/s1
InChIKey: CAKNXIQZWKLNKL-AOLCZBGXSA-N
Canonical SMILES: CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=C(C(=CC=C4)O)O
Isomeric SMILES: C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=C(C(=CC=C4)O)O
Synonyms: Gentiournoside D; 157722-21-9; (1S,4aS,6S,7R,7aS)-6-((2,3-Dihydroxybenzoyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid; (1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid; HY-N5065; FS-7188; DA-63739; CS-0032259; …
Botanical Source:
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