(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[4-[(E)-4-(4-Hydroxyphenyl)Hex-3-En-3-Yl]Phenoxy]Oxane-2-Carboxylic Acid
[CAS# 2408-40-4]

Identification

• Name: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[4-[(E)-4-(4-Hydroxyphenyl)Hex-3-En-3-Yl]Phenoxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R)-6-[4-[(E)-1-Ethyl-2-(4-Hydroxyphenyl)But-1-Enyl]Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[4-[(E)-1-Ethyl-2-(4-Hydroxyphenyl)But-1-Enyl]Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid
• Molecular Formula: C₂₄H₂₈O₈
• Molecular Weight: 444.48
• CAS Registry Number: 2408-40-4
• EINECS: 219-310-4
• SMILES: [C@@H]3(OC(OC2=CC=C(C(=C(C1=CC=C(O)C=C1)\CC)/CC)C=C2)[C@H](O)[C@@H](O)[C@@H]3O)C(=O)O
• InChI: 1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24?/m0/s1
• InChIKey: LJMPVHCKUXKZAV-YTXXKCOASA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 683.458°C at 760 mmHg (Cal.)
• Flash point: 233.509°C (Cal.)