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Substance Name: Picrotin monoacetate
RN: 27775-17-3
InChIKey: BTXQYZVMAHRZAF-UHFFFAOYSA-N

Molecular Formula

  • C17-H20-O8

Molecular Weight

  • 352.337
 
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Names and Synonyms

  • Picrotin monoacetate

Registry Numbers

CAS Registry Number

  • 27775-17-3

System Generated Number

  • 0027775173

Structure Descriptors

InChI

1S/C17H20O8/c1-6(18)24-14(2,3)8-9-12(19)22-10(8)11-15(4)16(9,21)5-7-17(15,25-7)13(20)23-11/h7-11,21H,5H2,1-4H3

InChIKey

BTXQYZVMAHRZAF-UHFFFAOYSA-N

Smiles

C(C)(C)([C@@H]1[C@@H]2OC([C@@H]1[C@@]1(C[C@@H]3O[C@@]43[C@@]1([C@@H]2OC4=O)C)O)=O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.