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Substance Name: 14-Acetyldictyocarpine
RN: 75659-26-6
InChIKey: YRFHHBLWWCMRSY-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C28-H41-N-O9

Molecular Weight

  • 535.63
 
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Names and Synonyms

Results Name

  • 14-Acetyldictyocarpine

Synonyms

  • 14-Acetyldictyocarpine
  • Dictyocarpine 14-acetate
  • Dictyocarpinine 6,14-diacetate

Systematic Name

  • Aconitane-6,10,14-triol, 1,16-dimethoxy-20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 6,14-diacetate, (1-alpha,6-beta,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 75659-26-6

System Generated Number

  • 0075659266

Structure Descriptors

InChI

1S/C28H41NO9/c1-7-29-12-24(4)9-8-18(34-6)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(33-5)16-10-25(27,32)20(26)19(16)37-14(2)30/h16-23,32H,7-13H2,1-6H3

InChIKey

YRFHHBLWWCMRSY-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H]([C@@H]3[C@@]4([C@@]5([C@@H](OC(C)=O)[C@@H]6[C@@]7(CC[C@@H]([C@@]6([C@@H]5[N@@](C7)CC)[C@@]13O)OC)C)OCO4)C[C@@H]2OC)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 765mg/kg (765mg/kg) BEHAVIORAL: ATAXIA Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993.