(8S-cis)-8-Acetyl-10-((3-(Bis(Phenylmethyl)Amino)-2,3,6-Trideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
[CAS# 80951-48-0]

Identification

• Name: (8S-cis)-8-Acetyl-10-((3-(Bis(Phenylmethyl)Amino)-2,3,6-Trideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,4S,5R,6S)-4-(Bis(Phenylmethyl)Amino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,4S,5R,6S)-4-(Bis(Phenylmethyl)Amino)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,4S,5R,6S)-4-(Bis(Benzyl)Amino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₄₁H₄₁NO₁₀
• Molecular Weight: 707.78
• CAS Registry Number: 80951-48-0
• SMILES: [C@@H]5(O[C@@H]3O[C@H]([C@H](O)[C@@H](N(CC1=CC=CC=C1)CC2=CC=CC=C2)C3)C)C4=C(O)C7=C(C(=C4C[C@](O)(C5)C(=O)C)O)C(=O)C6=CC=CC(=C6C7=O)OC
• InChI: 1S/C41H41NO10/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3/t22-,28-,30-,31-,36-,41-/m0/s1
• InChIKey: VUEZAPSQNPGLMR-KKAFLJDPSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 871.045°C at 760 mmHg (Cal.)
• Flash point: 480.591°C (Cal.)