Orienticin B
[CAS# 111073-19-9]

Identification

• Name: Orienticin B
• Synonyms: Vancomycin, 22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3''-Deamino-10-Dechloro-3''-Demethyl-3''-Hydroxy-, (3''S,4''R)-
• Molecular Formula: C₇₂H₈₆ClN₉O₂₇
• Molecular Weight: 1544.97
• CAS Registry Number: 111073-19-9
• SMILES: C1=C8C(=C(C=C1O)O)C2=CC(=CC=C2O)C9NC(C5C3=CC(=C(C(=C3)OC4=CC=C(C=C4)C(C(NC(C(CC(C)C)NC)=O)C(NC(C(N5)=O)CC(N)=O)=O)O)OC7C(OC6CC(C(O)C(O6)C)O)C(C(O)C(O7)CO)O)OC%11=C(C=C(C(C(C(NC8C(O)=O)=O)NC9=O)OC%10CC(C(O)C(O%10)C)(C)N)C=C%11)Cl)=O
• InChI: 1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)
• InChIKey: VUYIFQIEISVCHE-UHFFFAOYSA-N

Properties

• Density: 1.624g/cm³ (Cal.)