$250.00
| CAS No.: | 57496-29-4 |
| Molecular Formula | C₁₇H₂₀O₉ |
| Molecular Weight | 368.3g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
|---|
IUPAC Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChI: InChI=1S/C17H20O9/c1-25-12-4-2-9(6-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1
InChIKey: ZHBZPCLRULAFBL-KJJWLSQTSA-N
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O
Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O
Synonyms: (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-methoxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid; 57496-29-4; starbld0007771; Compound NP-004675; SCHEMBL10307371; AKOS040739782
Botanical Source:
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