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Substance Name: Arteannuin ether
RN: 80286-56-2
InChIKey: SXYIRMFQILZOAM-PQGOXYEYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-O5

Molecular Weight

  • 298.3764
 
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Names and Synonyms

Results Name

  • Arteannuin ether

Synonyms

  • Arteannuin ether
  • BRN 5948416

Systematic Name

  • 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R-(3-alpha,5a-beta,6-beta,8a-alpha,9-alpha,10-beta,12-beta,12aR*))-

Registry Numbers

CAS Registry Number

  • 80286-56-2

System Generated Number

  • 0080286562

Structure Descriptors

InChI

1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14-,15+,16?/m1/s1

InChIKey

SXYIRMFQILZOAM-PQGOXYEYSA-N

Smiles

C[C@@H]1CC[C@@H]2[C@H]([C@@H](O[C@H]3C24[C@H]1CC[C@@](O3)(OO4)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 567mg/kg (567mg/kg)   Guangxi Yixue. Kuanghsi Medicine. Vol. (3), Pg. 13, 1981.