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Substance Name: Napyradiomycin B4
RN: 111216-63-8
InChIKey: WIMMWIAJQXLZLL-VTQDYBALSA-N

Note

  • From culture broth Chainia rubra MG802-AF1.

Molecular Weight

  • 533.8729
 
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Names and Synonyms

Name of Substance

  • Napyradiomycin B4

Synonyms

  • 13-Hydroxy-13-methylnapyradiomycin B1
  • Npd-B4

Systematic Name

  • 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4a-dichloro-10a-((3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl)-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2-dimethyl-, (3R-(3alpha,4abeta,10abeta(1S*,3S*,6S*)))-

Registry Numbers

CAS Registry Number

  • 111216-63-8

System Generated Number

  • 0111216638

Structure Descriptors

InChI

1S/C25H31Cl3O6/c1-21(2)15(23(5,33)7-6-16(21)26)10-25-19(31)13-8-12(29)9-14(30)18(13)20(32)24(25,28)11-17(27)22(3,4)34-25/h8-9,15-17,29-30,33H,6-7,10-11H2,1-5H3/t15-,16-,17+,23-,24-,25-/m0/s1

InChIKey

WIMMWIAJQXLZLL-VTQDYBALSA-N

Smiles

CC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c4cc(O)cc(O)c4C(=O)[C@@]2(Cl)C[C@H]1Cl