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Substance Name: 16-epi-Pyrohypaconitine
RN: 123842-96-6
InChIKey: JLMFDWPNHVELBS-SKYCUDPYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H41-N-O8

Molecular Weight

  • 555.6639
 
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Names and Synonyms

Name of Substance

  • 16-epi-Pyrohypaconitine

Synonyms

  • 16-epi-Pyrohypaconitine
  • 16-Epipyrohypaconitine
  • 4-21-00-06773 (Beilstein Handbook Reference)
  • BRN 0071139

Systematic Names

  • Aconitan-15-one, 14-(benzoyloxy)-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, (1alpha,6alpha,14alpha,16alpha)-
  • Aconitan-15-one, 14-(benzoyloxy)-13-hydroxy-4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, (1-alpha,6-alpha,14-alpha,16-alpha)-

Registry Numbers

CAS Registry Number

  • 123842-96-6

System Generated Number

  • 0123842966

Structure Descriptors

InChI

1S/C31H41NO8/c1-32-14-29(15-36-2)12-11-18(37-3)31-17-13-30(35)26(40-28(34)16-9-7-6-8-10-16)19(17)20(22(33)27(30)39-5)21(25(31)32)23(38-4)24(29)31/h6-10,17-21,23-27,35H,11-15H2,1-5H3/t17-,18+,19+,20+,21?,23+,24-,25?,26-,27-,29+,30-,31?/m1/s1

InChIKey

JLMFDWPNHVELBS-SKYCUDPYSA-N

Smiles

CN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@@H]5[C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@@H](C5=O)OC)O)OC)OC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Journal of Ethnopharmacology. Vol. 35, Pg. 159, 1991.