(1S-3S)-beta-D-3-Acetyl-1,2,3,4,6,11-Hexahydro-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1-Naphthacenyl 2-Amino-2-Deoxyglucopyranoside
[CAS# 22423-39-8]

Identification

• Name: (1S-3S)-beta-D-3-Acetyl-1,2,3,4,6,11-Hexahydro-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1-Naphthacenyl 2-Amino-2-Deoxyglucopyranoside
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₉NO₁₂
• Molecular Weight: 559.53
• CAS Registry Number: 22423-39-8
• SMILES: [C@@H]3(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)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/C27H29NO12/c1-9(30)27(37)6-11-16(13(7-27)39-26-19(28)25(36)22(33)14(8-29)40-26)24(35)18-17(21(11)32)20(31)10-4-3-5-12(38-2)15(10)23(18)34/h3-5,13-14,19,22,25-26,29,32-33,35-37H,6-8,28H2,1-2H3/t13-,14+,19+,22+,25+,26+,27-/m0/s1
• InChIKey: IFHBDVVOPIRSJL-GIZHIAPPSA-N

Properties

• Density: 1.673g/cm³ (Cal.)
• Boiling point: 846.226°C at 760 mmHg (Cal.)
• Flash point: 465.581°C (Cal.)