[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Acetate
[CAS# 30489-04-4]

Identification

• Name: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Acetate
• Synonyms: [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(2S,4S)-4-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,12-Trihydroxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₉H₃₁NO₁₂
• Molecular Weight: 585.56
• CAS Registry Number: 30489-04-4
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(O)C4=C(C(=C2C[C@](O)(C3)C(=O)COC(=O)C)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C29H31NO12/c1-11-24(33)15(30)7-19(41-11)42-17-9-29(38,18(32)10-40-12(2)31)8-14-21(17)28(37)23-22(26(14)35)25(34)13-5-4-6-16(39-3)20(13)27(23)36/h4-6,11,15,17,19,24,33,35,37-38H,7-10,30H2,1-3H3/t11-,15-,17-,19-,24+,29-/m0/s1
• InChIKey: BLBUCDKAANQBPH-OMLYRYIZSA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 809.409°C at 760 mmHg (Cal.)
• Flash point: 443.314°C (Cal.)