Danshenxinkun D
[CAS# 98873-76-8]

Identification

• Name: Danshenxinkun D
• Synonyms: 4,8,9-Trimethyl-8-Methylol-9,10-Dihydronaphtho[2,1-G]Chromene-7,12-Quinone; 7H-Phenanthro(3,2-B)Pyran-7,12(8H)-Dione, 9,10-Dihydro-8-(Hydroxymethyl)-4,8,9-Trimethyl-; Danshenxinkun D
• Molecular Formula: C₂₁H₂₀O₄
• Molecular Weight: 336.39
• CAS Registry Number: 98873-76-8
• SMILES: C2=CC1=C(C=CC=C1C4=C2C(C3=C(OCC(C3(CO)C)C)C4=O)=O)C
• InChI: 1S/C21H20O4/c1-11-5-4-6-14-13(11)7-8-15-16(14)19(24)20-17(18(15)23)21(3,10-22)12(2)9-25-20/h4-8,12,22H,9-10H2,1-3H3
• InChIKey: LOLTUKHHUOCHAV-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 534.945°C at 760 mmHg (Cal.)
• Flash point: 191.87°C (Cal.)