Avermectin B1a

CAS Registry Number®

65195-55-3
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CAS Name

Avermectin B1a

Molecular Formula

C48H72O14

Molecular Mass

873.08

Cite this Page

Avermectin B1a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=65195-55-3 (retrieved 2024-04-26) (CAS RN: 65195-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15+,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

InChIKey

InChIKey=RRZXIRBKKLTSOM-UEJFSETQSA-N

SMILES

O[C@]/12[C@@]3(OC\C1=C\C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(\C)=C\C[C@@]6(C[C@](OC(=O)[C@@]2(C=C(C)[C@H]3O)[H])(C[C@]7(O6)O[C@]([C@H](CC)C)([C@@H](C)C=C7)[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(O)C(=CC1C67O)C)C

Other Names for this Substance

  • Avermectin A1a, 5-O-demethyl-
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
  • 5-O-Demethylavermectin A1a
  • Antibiotic C 076B1a
  • Avermectin B1a

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Deleted or Replaced CAS Registry Numbers

355401-08-0, 2036285-79-5, 2355205-03-5

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