Urdamycin-E
[CAS# 104542-47-4]

Identification

• Name: Urdamycin-E
• Synonyms: (3R,4As,12Bs)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3,4A,8-Trihydroxy-12B-[(2S,5S,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3-Methyl-5-Methylsulfanyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4As,12Bs)-9-[(2R,4R,5R,6R)-4-[[(2S,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-3,4A,8-Trihydroxy-12B-[[(2S,5S,6S)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3-Methyl-5-(Methylthio)-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4As,12Bs)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3,4A,8-Trihydroxy-12B-[(2S,5S,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3-Methyl-5-(Methylthio)-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione
• Molecular Formula: C₄₄H₅₈O₁₇S
• Molecular Weight: 890.99
• CAS Registry Number: 104542-47-4
• SMILES: [C@]28(O[C@@H]1O[C@H]([C@@H](O)CC1)C)[C@](O)(C(=CC3=C2C(=O)C4=C(C3=O)C(=C(C=C4)[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)C5)C)CC6)C)C7)C)O)SC)C[C@@](O)(CC8=O)C
• InChI: 1S/C44H58O17S/c1-18-25(45)9-11-33(56-18)61-44-30(47)16-42(5,53)17-43(44,54)31(62-6)13-24-36(44)41(52)23-8-7-22(39(50)35(23)40(24)51)28-15-29(38(49)21(4)55-28)60-32-12-10-27(19(2)57-32)59-34-14-26(46)37(48)20(3)58-34/h7-8,13,18-21,25-29,32-34,37-38,45-46,48-50,53-54H,9-12,14-17H2,1-6H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,32-,33-,34-,37+,38+,42-,43+,44-/m0/s1
• InChIKey: WDNBUGBJVRAIKE-JGRVRNPESA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 1026.193°C at 760 mmHg (Cal.)
• Flash point: 574.421°C (Cal.)