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Substance Name: Dehydrobrowniine
RN: 4829-56-5
InChIKey: MWOQLGAENOKSHS-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C25-H39-N-O7

Molecular Weight

  • 465.583
 
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Names and Synonyms

Results Name

  • Dehydrobrowniine

Synonyms

  • 14-Dehydrobrowniine
  • Dehydrobrowniine

Systematic Names

  • Aconitan-14-one, 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-, (1alpha,6beta,16beta)-
  • Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,16-beta)-

Registry Numbers

CAS Registry Number

  • 4829-56-5

System Generated Number

  • 0004829565

Structure Descriptors

InChI

1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3

InChIKey

MWOQLGAENOKSHS-UHFFFAOYSA-N

Smiles

O[C@@]12[C@@]3([C@@H]4C(=O)[C@@H](C[C@@H]4[C@@]45[C@@H](CC[C@@]([C@@H]5[C@@H]2OC)(C[N@@]([C@@H]14)CC)COC)OC)[C@@H](OC)C3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 254mg/kg (254mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993.