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Substance Name: Dideacetyldelphisine
RN: 466-26-2
InChIKey: XRARAKHBJHWUHW-UHFFFAOYSA-N

Note

  • Aconitum jaluense.

Molecular Formula

  • C24-H39-N-O6

Molecular Weight

  • 437.573
 
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Names and Synonyms

Results Name

  • Dideacetyldelphisine

Synonyms

  • Bullatine-B
  • Dideacetyldelphisine
  • Neoline
  • Xuan-Wu 3

Systematic Name

  • Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1-alpha,6-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 466-26-2

System Generated Number

  • 0000466262

Structure Descriptors

InChI

1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3

InChIKey

XRARAKHBJHWUHW-UHFFFAOYSA-N

Smiles

C1C[C@@]2(C[N@@]([C@@H]3[C@@]4([C@@H]1O)[C@@H]2[C@@H]([C@@H]3[C@@]1([C@@H]2[C@@H]4C[C@@H]([C@@H](OC)C1)[C@@H]2O)O)OC)CC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.