2-[3,4-Dihydroxy-2,5-bis(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
[CAS# 87746-48-3]

Identification

• Name: 2-[3,4-Dihydroxy-2,5-bis(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
• Synonyms: (2S)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; sigmoidin A
• Molecular Formula: C₂₅H₂₈O₆
• Molecular Weight: 424.49
• CAS Registry Number: 87746-48-3
• SMILES: O=C2c3c(OC(c1cc(c(O)c(O)c1C\C=C(/C)C)C\C=C(/C)C)C2)cc(O)cc3O
• InChI: 1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3
• InChIKey: BVHLNRAYBCPKOY-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 656.782°C at 760 mmHg (Cal.)
• Flash point: 223.815°C (Cal.)