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Substance Name: Jaconine
RN: 480-75-1
UNII: 3C9C0F9390
InChIKey: CKPJPJSVQMEGBC-SQEGYQCZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C18-H26-Cl-N-O6

Molecular Weight

  • 387.8574
 
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Names and Synonyms

Results Name

  • Jaconine

Name of Substance

  • Jaconine

Synonyms

  • (15-alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione
  • 4-27-00-06661 (Beilstein Handbook Reference)
  • BRN 0056049
  • Jaconine
  • UNII-3C9C0F9390

Systematic Names

  • (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-((1R)-1-chloroethyl)-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-, (3R,5R,6S,14aR,14bR)-
  • Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, (15-alpha,20R)-

Registry Numbers

CAS Registry Number

  • 480-75-1

FDA UNII

  • 3C9C0F9390

System Generated Number

  • 0000480751

Structure Descriptors

InChI

1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11?,13-,14-,17-,18+/m1/s1

InChIKey

CKPJPJSVQMEGBC-SQEGYQCZSA-N

Smiles

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 168mg/kg (168mg/kg) VASCULAR: OTHER CHANGES

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Frontiers of Biology. Vol. 9, Pg. 142, 1968.