(2-alpha,3-beta,4-alpha,5-beta,6-alpha)-4-(Dimethylamino)-3,4,5,6,9,16-Hexahydro-3,5,8,10-Tetrahydroxy-6,13-Dimethyl-9,16-Dioxo-2,6-Epoxy-2H-Naphthaceno(1,2-b)Oxocin-14-Carboxylic Acid Methyl Ester
[CAS# 11052-69-0]

Identification

• Name: (2-alpha,3-beta,4-alpha,5-beta,6-alpha)-4-(Dimethylamino)-3,4,5,6,9,16-Hexahydro-3,5,8,10-Tetrahydroxy-6,13-Dimethyl-9,16-Dioxo-2,6-Epoxy-2H-Naphthaceno(1,2-b)Oxocin-14-Carboxylic Acid Methyl Ester
• Synonyms: Nogalarene
• Molecular Formula: C₂₉H₂₇NO₁₀
• Molecular Weight: 549.53
• CAS Registry Number: 11052-69-0
• SMILES: [C@]16(O[C@@H](OC2=C3C(=C(O)C=C12)C(=O)C4=C(C3=O)C=C5C(=C4O)C=CC(=C5C(OC)=O)C)[C@@H](O)[C@H](N(C)C)[C@H]6O)C
• InChI: 1S/C29H27NO10/c1-10-6-7-11-12(16(10)27(37)38-5)8-13-17(21(11)32)23(34)18-15(31)9-14-25(19(18)22(13)33)39-28-24(35)20(30(3)4)26(36)29(14,2)40-28/h6-9,20,24,26,28,31-32,35-36H,1-5H3/t20-,24-,26+,28+,29+/m0/s1
• InChIKey: ZIOYGSZIUMVQSO-CWOXXLDKSA-N

Properties

• Density: 1.609g/cm³ (Cal.)
• Boiling point: 841.603°C at 760 mmHg (Cal.)
• Flash point: 462.785°C (Cal.)