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Substance Name: UK 78629
RN: 127346-83-2
InChIKey: OSQLEUPDNRRMMI-NULVQKFASA-N

Note

  • Isolated from Streptomyces hygroscopicus; member of milbemycin family.

Molecular Weight

  • 684.861
 
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Names and Synonyms

Name of Substance

  • UK 78629

Synonym

  • UK-78629

Systematic Name

  • Milbemycin B, 28-deoxy-6,28-epoxy-22-hydroxy-13-(2-methyl-1-oxopropoxy)-25-(1-methyl-1-propenyl)-, (6R,13R,22R,25S)-

Registry Numbers

CAS Registry Number

  • 127346-83-2

System Generated Number

  • 0127346832

Structure Descriptors

InChI

1S/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11+,22-10+,24-14+,27-13+/t23-,26-,28+,29-,30?,31+,32?,33+,34+,35+,38-,39+/m0/s1

InChIKey

OSQLEUPDNRRMMI-NULVQKFASA-N

Smiles

O[C@@H]1C[C@H](C)[C@@H](\C(C)=C\C)O[C@]21C[C@H]1OC(=O)[C@@H]3[C@@]4([C@H](OCC4=CC=C[C@H](C)[C@@H](C(=CC[C@@H](C1)O2)C)OC(C(C)C)=O)[C@@H](C(=C3)C)OC)O