Avermectin A1a

CAS Registry Number®

65195-51-9
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CAS Name

Avermectin A1a

Molecular Formula

C49H74O14

Molecular Mass

887.10

Cite this Page

Avermectin A1a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65195-51-9 (retrieved 2024-07-07) (CAS RN: 65195-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13-,28-16+,33-15-/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1

InChIKey

InChIKey=AFSHKCWTGFDXJR-NPADZPFUSA-N

SMILES

O[C@@]1\2[C@]3([C@H](OC)C(C)=C[C@]1(C(=O)O[C@@]4(C[C@]5(O[C@@](C4)(C/C=C(\C)/[C@@H](O[C@H]6C[C@H](OC)[C@@H](O[C@H]7C[C@H](OC)[C@@H](O)[C@H](C)O7)[C@H](C)O6)[C@@H](C)/C=C\C=C2\CO3)[H])O[C@]([C@H](CC)C)([C@@H](C)C=C5)[H])[H])[H])[H]

Canonical SMILES

O=C1OC2CC(OC3(OC(C(C=C3)C)C(C)CC)C2)CC=C(C)C(OC4OC(C)C(OC5OC(C)C(O)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(OC)C(=CC1C67O)C)C

Other Names for this Substance

  • Avermectin A1a
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran]-17-one, 7-[[2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranosyl]oxy]-5′,6,6′,7,10,11,14,15,17a,20,20a,20b-dodecahydro-20b-hydroxy-20-methoxy-5′,6,8,19-tetramethyl-6′-(1-methylpropyl)-, [6S-[2aE,4E,6R*,7R*,8E,11S*,13R*[5′R*,6′S*(R*)],15R*,17aS*,20S*,20aS*,20bR*]]-
  • Antibiotic C 076A1a
  • [6S-[2aE,4E,6R*,7R*,8E,11S*,13R*[5′R*,6′S*(R*)],15R*,17aS*,20S*,20aS*,20bR*]]-7-[[2,6-Dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranosyl]oxy]-5′,6,6′,7,10,11,14,15,17a,20,20a,20b-dodecahydro-20b-hydroxy-20-methoxy-5′,6,8,19-tetramethyl-6′-(1-methylpropyl)spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran]-17-one

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