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Substance Name: Enmein
RN: 3776-39-4
InChIKey: MQOJPNKACWKUGI-UJBBOIRVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H26-O6

Molecular Weight

  • 362.419
 
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Names and Synonyms

Name of Substance

  • Enmein

Synonyms

  • 4-18-00-03114 (Beilstein Handbook Reference)
  • BRN 0047118
  • Enmein
  • Isodonin
  • Isodonine
  • NSC 526961
  • Sculponeatin D

Systematic Name

  • 5H-5a,8-Methano-11H-cyclohepta(c)furo(3,4-e)(1)benzopyran-5,6(7H)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3as,5as,7R,8R,10aS,10bS,13R,13aR)-

Registry Numbers

CAS Registry Number

  • 3776-39-4

System Generated Number

  • 0003776394

Structure Descriptors

InChI

1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16+,19+,20-/m1/s1

InChIKey

MQOJPNKACWKUGI-UJBBOIRVSA-N

Smiles

C1([C@@]23C(C(=C)[C@@H](C3)CC[C@H]2[C@@]23[C@@H](C(C)(C)[C@H](C[C@H]2O1)O)[C@@H](O)OC3)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 145mg/kg (145mg/kg)   Journal of Antibiotics, Series A. Vol. 16, Pg. 132, 1963.