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Substance Name: 13,29-Dihydroxymilbemycin A4
RN: 134053-89-7
InChIKey: QNRGVUGZBUINDR-VYHDBUIVSA-N

Note

  • Formed from milbemycin A4 by actinomycete strain SANK 67386.

Molecular Formula

  • C32-H46-O9

Molecular Weight

  • 574.706
 
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Names and Synonyms

Name of Substance

  • 13,29-Dihydroxymilbemycin A4

Systematic Name

  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-13,30-duhydroxy-, (6R,13R,25R)-

Registry Numbers

CAS Registry Number

  • 134053-89-7

System Generated Number

  • 0134053897

Structure Descriptors

InChI

1S/C32H46O9/c1-5-26-18(2)11-12-31(41-26)15-24-14-23(40-31)10-9-21(16-33)27(34)19(3)7-6-8-22-17-38-29-28(35)20(4)13-25(30(36)39-24)32(22,29)37/h6-9,13,18-19,23-29,33-35,37H,5,10-12,14-17H2,1-4H3/b7-6+,21-9+,22-8+/t18-,19-,23+,24-,25?,26+,27?,28+,29+,31+,32+/m0/s1

InChIKey

QNRGVUGZBUINDR-VYHDBUIVSA-N

Smiles

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