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Substance Name: 24-Hydroxymethylavermectin B1a
RN: 82573-42-0
InChIKey: CDVMNUNOYIPVCZ-NREGEQFZSA-N

Molecular Formula

  • C48-H72-O15

Molecular Weight

  • 889.082
 
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Names and Synonyms

  • 24-Hydroxymethylavermectin B1a

Registry Numbers

CAS Registry Number

  • 82573-42-0

System Generated Number

  • 0082573420

Structure Descriptors

InChI

1S/C48H72O15/c1-10-25(2)43-31(23-49)16-17-47(63-43)22-34-19-33(62-47)15-14-27(4)42(26(3)12-11-13-32-24-56-45-40(50)28(5)18-35(46(52)59-34)48(32,45)53)60-39-21-37(55-9)44(30(7)58-39)61-38-20-36(54-8)41(51)29(6)57-38/h11-14,16-18,25-26,29-31,33-45,49-51,53H,10,15,19-24H2,1-9H3/b12-11+,27-14+,32-13+

InChIKey

CDVMNUNOYIPVCZ-NREGEQFZSA-N

Smiles

O([C@@H]1[C@@H]([C@@H](O[C@@H](O[C@@H]2[C@@H](C=CC=C3[C@@]4([C@@H](OC3)[C@@H](C(=C[C@@H]4C(O[C@@H]3C[C@@H](O[C@@]4(C=C[C@@H]([C@@H]([C@@H](C)CC)O4)CO)C3)CC=C2C)=O)C)O)O)C)C1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@@H](C1)OC)O)C