Eprinomectin B1a

CAS Registry Number®

133305-88-1
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CAS Name

Eprinomectin B1a

Molecular Formula

C50H75NO14

Molecular Mass

914.13

Cite this Page

Eprinomectin B1a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133305-88-1 (retrieved 2024-04-26) (CAS RN: 133305-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13-,28-16+,34-15-/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1

InChIKey

InChIKey=ZKWQQXZUCOBISE-NZCVSTSNSA-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](NC(C)=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(NC(=O)C)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC1C67O)C)C

Other Names for this Substance

  • Avermectin A1a, 4′′-(acetylamino)-5-O-demethyl-4′′-deoxy-, (4′′R)-
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
  • (4′′R)-4′′-(Acetylamino)-5-O-demethyl-4′′-deoxyavermectin A1a
  • Eprinomectin B1a
  • 2-epi-Eprinomectin B1a

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Deleted or Replaced CAS Registry Numbers

1374789-57-7

CAS INSIGHTSTM
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