betaclamycin T
[CAS# 1404-52-0]

Identification

• Name: betaclamycin T
• Synonyms: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R,10R)-7-[[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₈H₃₃NO₁₀
• Molecular Weight: 543.57
• CAS Registry Number: 1404-52-0
• SMILES: [C@H]4(C3=C(C2=C(C(C1=C(C(=CC=C1)O)C2=O)=O)C(=C3[C@H]([C@@](O)(CC)C4)O)O)O)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)N(C)C)C
• InChI: 1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15-,16-,22+,27+,28+/m0/s1
• InChIKey: HINUXGZHCXYZMB-DJNFHWKQSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 686.724°C at 760 mmHg (Cal.)
• Flash point: 369.118°C (Cal.)