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Substance Name: VM 44866
RN: 115021-83-5
InChIKey: HSLQALAXKYULNJ-ULLLQRFWSA-N

Note

  • Metabolite of milbemycin; from Streptomyces E225.

Molecular Weight

  • 584.745
 
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Names and Synonyms

Name of Substance

  • VM 44866

Synonym

  • VM-44866

Systematic Name

  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-(1-methyl-1-propenyl)-, (6R,22R,25S(E))-

Registry Numbers

CAS Registry Number

  • 115021-83-5

System Generated Number

  • 0115021835

Structure Descriptors

InChI

1S/C34H48O8/c1-7-21(4)30-23(6)15-28(35)33(42-30)17-26-16-25(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

HSLQALAXKYULNJ-ULLLQRFWSA-N

Smiles

O[C@H]1[C@]2(C[C@@H]3C[C@H](O2)CC=C(C[C@H](C=CC=C2[C@@]4([C@H](OC2)[C@@H](C(=C[C@@H]4C(O3)=O)C)O)O)C)C)O[C@@H]([C@H](C1)C)\C(C)=C\C