Hemigossypol
[CAS# 40817-07-0]

Identification

• Name: Hemigossypol
• Synonyms: 2,3,8-Trihydroxy-4-Isopropyl-6-Methyl-Naphthalene-1-Carbaldehyde; 2,3,8-Trihydroxy-4-Isopropyl-6-Methyl-1-Naphthalenecarboxaldehyde; 2,3,8-Trihydroxy-6-Methyl-4-Propan-2-Yl-Naphthalene-1-Carbaldehyde
• Molecular Formula: C₁₅H₁₆O₄
• Molecular Weight: 260.29
• CAS Registry Number: 40817-07-0
• SMILES: C1=C(C=C(C2=C(C(=C(C(=C12)C(C)C)O)O)C=O)O)C
• InChI: 1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3
• InChIKey: WWHRTLINNBKCGL-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 470.322°C at 760 mmHg (Cal.)
• Flash point: 252.357°C (Cal.)