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| CAS No.: | 29118-80-7 |
| Molecular Formula | C₂₄H₃₀O₁₁ |
| Molecular Weight | 494.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
IUPAC Name: 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
InChI: InChI=1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1
InChIKey: VBXLWOOOZVFVNF-MUNFHUKUSA-N
Canonical SMILES: CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OCCC4=CC=C(C=C4)O
Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OCCC4=CC=C(C=C4)O
Synonyms: Syringopicroside; 29118-80-7; 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-; Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, [1S-(1alpha,4aalpha,7alpha,7aalpha)]-; D6GNZ26JMY; DTXSID80951708; HY-N9682; …
Botanical Source:
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