Avilamycin A

CAS Registry Number®

69787-79-7

CAS Name

Avilamycin A

Molecular Formula

C61H88Cl2O32

Molecular Mass

1404.24

Cite this Page

Avilamycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69787-79-7 (retrieved 2024-11-22) (CAS RN: 69787-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3

InChIKey

InChIKey=XIRGHRXBGGPPKY-UHFFFAOYSA-N

SMILES

CC1OC2(C3C(C1(C(C)=O)O)OCO3)OC4C(O2)COC(OC5C(OC)C(O)C(OC6C(O)C(OC7CC8(C)C(C(C)O7)OC9(O8)CC(O)C(OC%10CC(O)C(OC(=O)C%11=C(OC)C(Cl)=C(O)C(Cl)=C%11C)C(C)O%10)C(C)O9)C(OC)C(C)O6)C(COC)O5)C4OC(C(C)C)=O

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(C)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-(2-methyl-1-oxopropyl)-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, 23-deoxy-
  • 2,4′-Spirobi[4H-1,3-dioxolo[4,5-c]pyran], flambamycin deriv.
  • Spiro[4H-1,3-dioxolo[4,5-c]pyran-2,2′-[2H]pyran], flambamycin deriv.
  • O-(1R)-4-C-Acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1→3-4)-2-O-(2-methyl-1-oxopropyl)-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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration