(8S,10S)-8-Acetyl-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-10-[(3-(Formylamino)-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy]-5,12-Naphthacenedione
[CAS# 63084-42-4]

Identification

• Name: (8S,10S)-8-Acetyl-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-10-[(3-(Formylamino)-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy]-5,12-Naphthacenedione
• Synonyms: N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Formamide; N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]Formamide; N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Formamide
• Molecular Formula: C₂₈H₂₉NO₁₁
• Molecular Weight: 555.54
• CAS Registry Number: 63084-42-4
• SMILES: [C@@]5(O)(C(C)=O)C[C@H](OC1OC(C(O)C(NC=O)C1)C)C4=C(C3=C(C(C2=C(C(=CC=C2)OC)C3=O)=O)C(=C4C5)O)O
• InChI: 1S/C28H29NO11/c1-11-23(32)15(29-10-30)7-18(39-11)40-17-9-28(37,12(2)31)8-14-20(17)27(36)22-21(25(14)34)24(33)13-5-4-6-16(38-3)19(13)26(22)35/h4-6,10-11,15,17-18,23,32,34,36-37H,7-9H2,1-3H3,(H,29,30)/t11?,15?,17-,18?,23?,28-/m0/s1
• InChIKey: AQFSEUJDYAJBPS-QKWARWMISA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 845.822°C at 760 mmHg (Cal.)
• Flash point: 465.337°C (Cal.)