(9R)-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 37818-13-6]

Identification

• Name: (9R)-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (9R)-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; 7-Deoxydoxorubicinol Aglycone; Adriamycinol 7-Deoxyaglycone
• Molecular Formula: C₂₁H₂₀O₈
• Molecular Weight: 400.38
• CAS Registry Number: 37818-13-6
• SMILES: [C@@]2(O)(CC1=C(O)C4=C(C(=C1CC2)O)C(=O)C3=C(OC)C=CC=C3C4=O)[C@@H](O)CO
• InChI: 1S/C21H20O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,13,22-24,26,28H,5-8H2,1H3/t13-,21+/m0/s1
• InChIKey: IGJIPNOEJDYNRR-YEJXKQKISA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 765.318°C at 760 mmHg (Cal.)
• Flash point: 274.816°C (Cal.)