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Substance Name: Benzofuran-2(3H)-one, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-
RN: 88580-86-3
InChIKey: OCZQJFJNWTYDNP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O3

Molecular Weight

  • 210.271
 
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Names and Synonyms

Synonyms

  • (3aS,4R,6S,7aR)-hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)benzofuran-2(3H)-one
  • 2-(1(S)-Methyl-2(R)-hydroxy-4(S)-isopropenyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactone

Systematic Name

  • Benzofuran-2(3H)-one, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-

Registry Numbers

CAS Registry Number

  • 88580-86-3

System Generated Number

  • 0088580863

Structure Descriptors

InChI

1S/C12H18O3/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h8-10,13H,1,4-6H2,2-3H3

InChIKey

OCZQJFJNWTYDNP-UHFFFAOYSA-N

Smiles

C1[C@@]2([C@@H](C[C@@H](C(C)=C)C[C@@H]2O)OC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 150mg/kg (150mg/kg)   Journal of Pharmaceutical Sciences. Vol. 72, Pg. 1131, 1983.