Avilamycin B

CAS Registry Number®

73240-30-9

CAS Name

Avilamycin B

Molecular Formula

C59H84Cl2O32

Molecular Mass

1376.19

Cite this Page

Avilamycin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73240-30-9 (retrieved 2024-11-22) (CAS RN: 73240-30-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H84Cl2O32/c1-20-34(45(73-12)36(61)37(66)35(20)60)52(69)85-40-21(2)78-32(14-28(40)64)83-41-23(4)88-57(15-29(41)65)92-49-24(5)79-33(16-56(49,9)93-57)84-46-39(68)53(80-22(3)42(46)72-11)86-43-30(17-71-10)82-55(47(74-13)38(43)67)87-54-48(81-27(8)63)44-31(18-75-54)90-59(91-44)51-50(76-19-77-51)58(70,25(6)62)26(7)89-59/h21-24,26,28-33,38-44,46-51,53-55,64-68,70H,14-19H2,1-13H3/t21-,22-,23-,24-,26-,28-,29+,30-,31+,32+,33+,38+,39-,40-,41-,42+,43-,44-,46-,47+,48-,49-,50-,51-,53+,54+,55+,56-,57?,58+,59-/m1/s1

InChIKey

InChIKey=VVIAOPGTVSECTI-OIYWUHJOSA-N

SMILES

C[C@H]1O[C@@]2([C@]3([C@]([C@@]1(C(C)=O)O)(OCO3)[H])[H])O[C@@]4([C@@](O2)(CO[C@@H](O[C@H]5[C@@H](OC)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O[C@H]7C[C@]8(C)[C@@]([C@@H](C)O7)(OC9(O8)C[C@H](O)[C@H](O[C@H]%10C[C@@H](O)[C@H](OC(=O)C%11=C(OC)C(Cl)=C(O)C(Cl)=C%11C)[C@@H](C)O%10)[C@@H](C)O9)[H])[C@@H](OC)[C@@H](C)O6)[C@@H](COC)O5)[C@@H]4OC(C)=O)[H])[H]

Canonical SMILES

O=C(OC1C(O)CC(OC1C)OC2C(O)CC3(OC2C)OC4C(OC(OC5C(O)C(OC(C)C5OC)OC6C(O)C(OC)C(OC7OCC8OC9(OC(C)C(O)(C(=O)C)C%10OCOC%109)OC8C7OC(=O)C)OC6COC)CC4(O3)C)C)C=%11C(OC)=C(Cl)C(O)=C(Cl)C%11C

Other Names for this Substance

  • β-D-Mannopyranoside, O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1→3-4)-2-O-acetyl-α-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-2,6-dideoxy-3-C-methyl-β-D-arabino-hexopyranosyl-(1→3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1→4)-2,6-di-O-methyl-
  • Flambamycin, 45-O-acetyl-45-O-de(2-methyl-1-oxopropyl)-23-deoxy-
  • O-(1R)-4-C-Acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1→3-4)-2-O-acetyl-α-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-2,6-dideoxy-3-C-methyl-β-D-arabino-hexopyranosyl-(1→3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1→4)-2,6-di-O-methyl-β-D-mannopyranoside
  • Curamycin A
  • Avilamycin B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration