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Substance Name: 4a-epi-Nanaomycin B
RN: 72691-97-5
InChIKey: IRFITFGOKXSNHV-GRJBMBSXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C16-H16-O7

Molecular Weight

  • 320.2954
 
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Names and Synonyms

Synonyms

  • 5-18-09-00351 (Beilstein Handbook Reference)
  • BRN 1440473

Systematic Names

  • 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S-(1alpha,3beta,4abeta,10abeta))-
  • 4a-epi-Nanaomycin B

Registry Numbers

CAS Registry Number

  • 72691-97-5

System Generated Number

  • 0072691975

Structure Descriptors

InChI

1S/C16H16O7/c1-7-16(22)10(5-8(23-7)6-12(18)19)14(20)9-3-2-4-11(17)13(9)15(16)21/h2-4,7-8,10,17,22H,5-6H2,1H3,(H,18,19)/t7-,8+,10+,16-/m0/s1

InChIKey

IRFITFGOKXSNHV-GRJBMBSXSA-N

Smiles

C[C@H]1[C@@]2([C@H](C[C@@H](O1)CC(=O)O)C(=O)c3cccc(c3C2=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82500ug/kg (82.5mg/kg)   Journal of Antibiotics. Vol. 32, Pg. 442, 1979.