(2S,3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-3-(3-Methylbut-2-Enyl)Naphthalene-1,4-Dione
[CAS# 135529-33-8]

Identification

• Name: (2S,3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-3-(3-Methylbut-2-Enyl)Naphthalene-1,4-Dione
• Synonyms: (2S,3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-3-(3-Methylbut-2-Enyl)Tetralin-1,4-Dione; (2S,3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-3-(3-Methylbut-2-Enyl)Tetralin-1,4-Quinone; Naphthomevalin
• Molecular Formula: C₂₅H₃₁ClO₅
• Molecular Weight: 446.97
• CAS Registry Number: 135529-33-8
• SMILES: [C@]1(Cl)([C@@](O)(C(=O)C2=C(C1=O)C(=CC(=C2)O)O)C\C=C(\CCC=C(C)C)C)CC=C(C)C
• InChI: 1S/C25H31ClO5/c1-15(2)7-6-8-17(5)10-12-25(31)22(29)19-13-18(27)14-20(28)21(19)23(30)24(25,26)11-9-16(3)4/h7,9-10,13-14,27-28,31H,6,8,11-12H2,1-5H3/b17-10+/t24-,25-/m0/s1
• InChIKey: DRVVWOVFACYRGZ-GFNWSNCPSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 618.831°C at 760 mmHg (Cal.)
• Flash point: 328.057°C (Cal.)