(2R)-4alpha-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-Decahydro-3beta,5beta,8,10,13alpha-Pentahydroxy-6,13-Dimethyl-9,16-Dioxo-2alpha,6alpha-Epoxy-2H-Naphthaceno[1,2-b]Oxocin-14alpha-Carboxylic Acid Methyl Ester
[CAS# 62422-00-8]

Identification

• Name: (2R)-4alpha-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-Decahydro-3beta,5beta,8,10,13alpha-Pentahydroxy-6,13-Dimethyl-9,16-Dioxo-2alpha,6alpha-Epoxy-2H-Naphthaceno[1,2-b]Oxocin-14alpha-Carboxylic Acid Methyl Ester
• Synonyms: 7-Deoxynogalarol; Deoxynogalarol,7-; Nsc114345
• Molecular Formula: C₂₉H₃₁NO₁₁
• Molecular Weight: 569.56
• CAS Registry Number: 62422-00-8
• SMILES: C2=C1C6(OC(OC1=C3C(=C2O)C(=O)C4=C(C3=O)C=C5C(=C4O)CCC(O)(C5C(OC)=O)C)C(O)C(N(C)C)C6O)C
• InChI: 1S/C29H31NO11/c1-28(38)7-6-10-11(18(28)26(37)39-5)8-12-15(20(10)32)22(34)16-14(31)9-13-24(17(16)21(12)33)40-27-23(35)19(30(3)4)25(36)29(13,2)41-27/h8-9,18-19,23,25,27,31-32,35-36,38H,6-7H2,1-5H3
• InChIKey: LIUWFJINGKUEER-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 850.341°C at 760 mmHg (Cal.)
• Flash point: 468.07°C (Cal.)