(3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-6-Methyl-3-(3-Methylbut-2-Enyl)Naphthalene-1,4-Dione
[CAS# 110200-34-5]

Identification

• Name: (3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-6-Methyl-3-(3-Methylbut-2-Enyl)Naphthalene-1,4-Dione
• Synonyms: (3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-6-Methyl-3-(3-Methylbut-2-Enyl)Tetralin-1,4-Dione; (3R)-3-Chloro-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,5,7-Trihydroxy-6-Methyl-3-(3-Methylbut-2-Enyl)Tetralin-1,4-Quinone; Sf 2415B1
• Molecular Formula: C₂₆H₃₃ClO₅
• Molecular Weight: 461.00
• CAS Registry Number: 110200-34-5
• SMILES: [C@]1(Cl)(C(O)(C(=O)C2=C(C1=O)C(=C(C(=C2)O)C)O)C\C=C(\CCC=C(C)C)C)CC=C(C)C
• InChI: 1S/C26H33ClO5/c1-15(2)8-7-9-17(5)11-13-26(32)23(30)19-14-20(28)18(6)22(29)21(19)24(31)25(26,27)12-10-16(3)4/h8,10-11,14,28-29,32H,7,9,12-13H2,1-6H3/b17-11+/t25-,26?/m0/s1
• InChIKey: VGHMRYUOZDKQTD-GMYRNWJMSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 634.059°C at 760 mmHg (Cal.)
• Flash point: 337.267°C (Cal.)