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Substance Name: LL-F 28249beta
RN: 102042-08-0
InChIKey: WDWFRIMNWVDXGF-XFOWURONSA-N

Molecular Formula

  • C34-H48-O8

Molecular Weight

  • 584.745
 
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Names and Synonyms

Name of Substance

  • LL-F 28249beta

Synonym

  • LL-F28249 beta

Systematic Name

  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-(1-methyl-1-propenyl)-, (6S,23S,25S(E))-

Registry Numbers

CAS Registry Number

  • 102042-08-0

System Generated Number

  • 0102042080

Structure Descriptors

InChI

1S/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8+,20-11+,21-7+,24-10+/t19-,23-,25+,26?,27?,28-,29+,30+,31+,33?,34+/m0/s1

InChIKey

WDWFRIMNWVDXGF-XFOWURONSA-N

Smiles

C1O[C@H]2[C@@]3(C1=CC=C[C@@H](CC(=CC[C@@H]1C[C@@H](C[C@@]4(C[C@@H]([C@@H]([C@H](\C(C)=C\C)O4)C)O)O1)OC(=O)[C@@H]3C=C([C@H]2O)C)C)C)O