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Substance Name: Dihydrochaparrinone
RN: 4547-22-2
InChIKey: ZCAKGRFWNGSWEO-MOCWUDHTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-O7

Molecular Weight

  • 380.434
 
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Names and Synonyms

Results Name

  • Dihydrochaparrinone

Synonyms

  • 3,4-Dihydrochaparrinone
  • Dihydrochaparrinone

Systematic Name

  • Picrasane-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,4-xi,11-beta,12-alpha)-

Registry Numbers

CAS Registry Number

  • 4547-22-2

System Generated Number

  • 0004547222

Structure Descriptors

InChI

1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-20-11(6-14(22)27-13)9(2)15(23)19(25,7-26-20)17(18)20/h8-11,13,15-17,23-25H,4-7H2,1-3H3/t8?,9-,10+,11+,13-,15-,16-,17+,18-,19+,20?/m1/s1

InChIKey

ZCAKGRFWNGSWEO-MOCWUDHTSA-N

Smiles

O[C@H]1[C@@]2([C@H]([C@@H](CC1=O)C)C[C@@H]1[C@@]34[C@H]([C@H]([C@@H](O)[C@@]([C@H]24)(O)CO3)C)CC(O1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 30mg/kg (30mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 345, 1991.