Chloroorienticin D
[CAS# 118373-83-4]

Identification

• Name: Chloroorienticin D
• Synonyms: Vancomycin, 22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-56-Methyl-
• Molecular Formula: C₇₄H₉₀Cl₂N₁₀O₂₆
• Molecular Weight: 1606.48
• CAS Registry Number: 118373-83-4
• SMILES: C1=C9C(=C(C=C1O)O)C2=CC(=CC=C2O)C%10NC(C4C3=CC(=C(C(=C3)OC5=C(C=C(C(C(NC(C(CC(C)C)N(C)C)=O)C(NC(C(N4)=O)CC(N)=O)=O)O)C=C5)Cl)OC7C(OC6CC(C(O)C(O6)C)(C)N)C(C(O)C(O7)CO)O)OC8=CC=C(C=C8Cl)C(C(C(NC9C(O)=O)=O)NC%10=O)OC%11CC(C(O)C(O%11)C)(C)N)=O
• InChI: 1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)
• InChIKey: GXIYAZLYUMROIQ-UHFFFAOYSA-N

Properties

• Density: 1.609g/cm³ (Cal.)