Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS# 117016-15-6]

Identification

• Name: Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
• Synonyms: Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; (1R,2R,4S)-4-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₈H₃₁NO₁₂
• Molecular Weight: 573.55
• CAS Registry Number: 117016-15-6
• SMILES: [C@H]3(C1=C(O)C4=C(C(=C1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](N)C2)C)C[C@]3(O)CC)O)C(=O)C5=C(C4=O)C(=CC=C5O)O)C(OC)=O
• InChI: 1S/C28H31NO12/c1-4-28(38)8-13(41-14-7-10(29)22(32)9(2)40-14)17-18(21(28)27(37)39-3)26(36)20-19(25(17)35)23(33)15-11(30)5-6-12(31)16(15)24(20)34/h5-6,9-10,13-14,21-22,30-32,35-36,38H,4,7-8,29H2,1-3H3/t9-,10-,13-,14-,21-,22+,28+/m0/s1
• InChIKey: QZUSXQWRSHCKJZ-BCMLCFFESA-N

Properties

• Density: 1.638g/cm³ (Cal.)
• Boiling point: 729.857°C at 760 mmHg (Cal.)
• Flash point: 395.204°C (Cal.)