Avermectin B1b

CAS Registry Number®

65195-56-4
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CAS Name

Avermectin B1b

Molecular Formula

C47H70O14

Molecular Mass

859.05

Cite this Page

Avermectin B1b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=65195-56-4 (retrieved 2024-04-24) (CAS RN: 65195-56-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11-,26-14+,31-13-/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1

InChIKey

InChIKey=ZFUKERYTFURFGA-BVCUBFAHSA-N

SMILES

C(C)(C)[C@H]1O[C@@]2(C[C@@]3(C[C@](O2)(C/C=C(\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@@H](C)/C=C\C=C\6/[C@@]7(O)[C@](C(=O)O3)(C=C(C)[C@@H](O)[C@]7(OC6)[H])[H])[H])[H])C=C[C@@H]1C

Canonical SMILES

O=C1OC2CC(OC3(OC(C(C=C3)C)C(C)C)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-25-de(1-methylpropyl)-25-(1-methylethyl)-
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
  • 5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)avermectin A1a
  • Antibiotic C 076B1b
  • Avermectin B1b

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Deleted or Replaced CAS Registry Numbers

355401-10-4

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