Kanglemycin A
[CAS# 114153-91-2]

Identification

• Name: Kanglemycin A
• Synonyms: Kanglemycin A; Rifamycin, 20-(1-(3-Carboxy-2,2-Dimethyl-1-Oxopropoxy)Ethyl)-20-Demethyl-27-O-Demethyl-1,4-Dideoxy-27-O-(2,6-Dideoxy-3,4-O-Methylene-Beta-D-Ribo-Hexopyranosyl)-1,4-Dihydro-1,4-Dioxo-
• Molecular Formula: C₅₀H₆₃NO₁₉
• Molecular Weight: 982.04
• CAS Registry Number: 114153-91-2
• SMILES: C(C(C(OC(C\5C(O)C(C(O)C(C(OC(=O)C)C(C(OC2OC(C1OCOC1C2)C)/C=C/OC4(OC3=C(C(=C6C(=C3C4=O)C(=O)C=C(NC(=O)C(=C/C=C5)/C)C6=O)O)C)C)C)C)C)C)=O)(C)C)C(=O)O
• InChI: 1S/C50H63NO19/c1-21-13-12-14-29(26(6)67-48(62)49(9,10)19-34(54)55)40(57)23(3)39(56)24(4)43(68-28(8)52)22(2)32(69-35-18-33-45(27(7)66-35)64-20-63-33)15-16-65-50(11)46(60)38-36-31(53)17-30(51-47(21)61)42(59)37(36)41(58)25(5)44(38)70-50/h12-17,22-24,26-27,29,32-33,35,39-40,43,45,56-58H,18-20H2,1-11H3,(H,51,61)(H,54,55)/b14-12+,16-15+,21-13+
• InChIKey: KRBOMQKIXLJMRA-UTWSZFJISA-N