4'-Deoxydoxorubicinol 7-Deoxyaglycone
[CAS# 56149-23-6]

Identification

• Name: 4'-Deoxydoxorubicinol 7-Deoxyaglycone
• Synonyms: (7S,9S)-9-[(1S)-1,2-Dihydroxyethyl]-6,7,9,11-Tetrahydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; 13-Dihydrodoxorubicinone; 4'-Deoxydoxorubicinol 7-Deoxyaglycone
• Molecular Formula: C₂₁H₂₀O₉
• Molecular Weight: 416.38
• CAS Registry Number: 56149-23-6
• SMILES: [C@@]2(O)(CC1=C(O)C4=C(C(=C1[C@@H](O)C2)O)C(=O)C3=C(OC)C=CC=C3C4=O)[C@@H](O)CO
• InChI: 1S/C21H20O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,12,22-24,26-27,29H,5-7H2,1H3/t10-,12-,21-/m0/s1
• InChIKey: CGVVIRBOJFDFBH-FPQVQZPGSA-N

Properties

• Density: 1.667g/cm³ (Cal.)
• Boiling point: 748.634°C at 760 mmHg (Cal.)
• Flash point: 267.491°C (Cal.)