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Substance Name: Cyclooctatin
RN: 139552-97-9
InChIKey: MSKFOQCDNOFJAT-SOFYXZRVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H34-O3

Molecular Weight

  • 322.486
 
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Names and Synonyms

Name of Substance

  • Cyclooctatin

Synonym

  • Cyclooctatin

Systematic Names

  • Dicyclopenta(a,d)cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1-(hydroxymethyl)-4,9a-dimethyl-7-(1-methylethyl)-
  • Dicyclopenta(a,d)cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-4,9a-dimethyl-1-(hydroxymethyl)-7-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 139552-97-9

System Generated Number

  • 0139552979

Structure Descriptors

InChI

1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-

InChIKey

MSKFOQCDNOFJAT-SOFYXZRVSA-N

Smiles

C1[C@@H]2[C@@H]([C@@](CC=C3[C@@]1(CC[C@@H]3C(C)C)C)(O)C)[C@@H](C[C@@H]2CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1587, 1992.