(7S,9S)-9-Acetyl-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 105444-04-0]

Identification

• Name: (7S,9S)-9-Acetyl-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₆H₂₆O₁₂
• Molecular Weight: 530.48
• CAS Registry Number: 105444-04-0
• SMILES: [C@@H]3(O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)C)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C26H26O12/c1-9(28)26(35)6-11-16(13(7-26)37-25-24(34)21(31)14(8-27)38-25)23(33)18-17(20(11)30)19(29)10-4-3-5-12(36-2)15(10)22(18)32/h3-5,13-14,21,24-25,27,30-31,33-35H,6-8H2,1-2H3/t13-,14+,21+,24+,25+,26-/m0/s1
• InChIKey: OJTIHTGLDWDELH-MCDZYTKUSA-N

Properties

• Density: 1.687g/cm³ (Cal.)
• Boiling point: 825.764°C at 760 mmHg (Cal.)
• Flash point: 280.021°C (Cal.)