乌达霉素C
[CAS# 104443-43-8]

基本信息

• 产品名称: 乌达霉素C
• 英文名: Urdamycin C
• 别名: Benz(7,8)Anthra(9,1-Bc)Pyran-2,6,13(10H)-Trione, 5-(2,6-Dideoxy-3-O-((2S-(2Alpha,5Beta,6Beta))-5-((2,6-Dideoxy-Beta-D-Arabino-Hexopyranosyl)Oxy)Tetrahydro-6-Methyl-2H-Pyran-2-Yl)-Beta-D-Arabino-Hexopyranosyl)-9A,11,12,13A-Tetrahydro-7,9A,11-Trihydroxy-3-(4-Hydroxyphenyl)-11-Methyl-13A-((Tetrahydro-5-Hydroxy-6-Methyl-2H-Pyran-2-Yl)Oxy)-, (9Ar-(9Aalpha,11Alpha,13Aalpha(2S*,5S*,6S*)))-
• 分子式: C₅₁H₆₀O₁₉
• 分子量: 977.02
• CAS 登录号: 104443-43-8
• 分子行输入简码 SMILES: [C@@]23(O[C@@H]1O[C@@H]([C@@H](O)CC1)C)[C@@](O)(C[C@@](O)(CC2=O)C)C=CC%10=C3C5=C4C(=C(O)C(=CC4=C(C(O5)=O)C6=CC=C(O)C=C6)[C@@H]9O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)C7)C)CC8)C)C9)C)C%10=O
• 国际化学标识码 InChI: 1S/C51H60O19/c1-21-30(53)10-12-37(64-21)70-51-35(55)19-49(5,61)20-50(51,62)15-14-27-42(51)47-40-29(39(48(60)69-47)25-6-8-26(52)9-7-25)16-28(46(59)41(40)45(27)58)33-18-34(44(57)24(4)63-33)68-36-13-11-32(22(2)65-36)67-38-17-31(54)43(56)23(3)66-38/h6-9,14-16,21-24,30-34,36-38,43-44,52-54,56-57,59,61-62H,10-13,17-20H2,1-5H3/t21-,22+,23-,24-,30+,31-,32+,33-,34-,36+,37+,38+,43-,44-,49+,50+,51+/m1/s1
• 国际化学标识检索码 InChIKey: APMRFKHSHVYRKV-ISORPGPBSA-N

物理化学性质

• 密度: 1.549g/cm³ （计算值）