(1S,4R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid



Compound number:
MolPort-020-392-495
CAS number: 327-97-9
IUPAC:
(1S,4R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
IUPAC traditional:
(1S,4R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
SMILES:
OC1C[C@](O)(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
InChI key:
CWVRJTMFETXNAD-CEMWGLCESA-N
Molecular formula:
C16H18O9
Molecular weight: 354.311
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-020-392-495
CAS number: 327-97-9

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11?,12?,14-,16+/m1/s1
InChI key: CWVRJTMFETXNAD-CEMWGLCESA-N

Calculated Properties
Molecular formula: C16H18O9
Molecular weight: 354.311

Other

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