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Substance Name: Avermectin A1b
RN: 65195-52-0
InChIKey: MNRHCELBXZARFX-NBZUUPJPSA-N

Molecular Formula

  • C48-H72-O14

Molecular Weight

  • 873.0828
 
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Names and Synonyms

Results Name

  • Avermectin A1b

Synonyms

  • Antibiotic C 076A(sub 1b)
  • Antibiotic C 076A1b
  • Avermectin A1b

Systematic Name

  • Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 65195-52-0

System Generated Number

  • 0065195520

Structure Descriptors

InChI

1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15-,32-14+/t26?,28?,30-,31-,33?,34?,35?,36-,37-,38-,39-,40-,41?,42?,43?,44-,45?,47?,48?/m0/s1

InChIKey

MNRHCELBXZARFX-NBZUUPJPSA-N

Smiles

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2[C@@H](O[C@H](C[C@@H]2OC)OC/3C(/C=C/C=C/4\COC5C4(C(C=C(C5OC)C)C(=O)OC6CC(C/C=C3/C)OC7(C6)C=CC(C(O7)C(C)C)C)O)C)C)OC)O