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Substance Name: Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-
RN: 138752-51-9
InChIKey: KJCNUSZLTSYRLA-ZMABWSNCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-O8

Molecular Weight

  • 392.4016
 
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Names and Synonyms

Synonym

  • (1-beta,11-beta,12-alpha)-11,20:13,21-Diepoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione

Systematic Name

  • Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-

Registry Numbers

CAS Registry Number

  • 138752-51-9

System Generated Number

  • 0138752519

Structure Descriptors

InChI

1S/C20H24O8/c1-8-3-10(21)14(23)17(2)9(8)4-12-20-11(5-13(22)28-12)19(7-26-19)16(24)18(25,6-27-20)15(17)20/h3,9,11-12,14-16,23-25H,4-7H2,1-2H3/t9-,11-,12+,14+,15-,16-,17+,18+,19+,20?/m0/s1

InChIKey

KJCNUSZLTSYRLA-ZMABWSNCSA-N

Smiles

CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@](CO4)([C@@H]([C@]6([C@@H]5CC(=O)O3)CO6)O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 345, 1991.