Sulfurmycin E
[CAS# 83753-76-8]

Identification

• Name: Sulfurmycin E
• Synonyms: Methyl (1R,2S,4S)-2-Acetonyl-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5R,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; (1R,2S,4S)-2-Acetonyl-4-[[(2R,4S,5S,6S)-4-Dimethylamino-5-[[(2S,4S,5S,6S)-4-Hydroxy-5-[[(2S,5R,6S)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2S,4S)-2-Acetonyl-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5R,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₃H₅₅NO₁₆
• Molecular Weight: 841.90
• CAS Registry Number: 83753-76-8
• SMILES: [C@H]5(C1=CC7=C(C(=C1[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)CC2)C)[C@@H](O)C3)C)[C@@H](N(C)C)C4)C)C[C@]5(O)CC(=O)C)O)C(=O)C6=C(O)C=CC=C6C7=O)C(OC)=O
• InChI: 1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31-,32-,36-,40+,41+,43+/m0/s1
• InChIKey: ONRDFNTYASFICP-VIKSYLFQSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 933.167°C at 760 mmHg (Cal.)
• Flash point: 518.161°C (Cal.)