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Substance Name: 1,3-Dioxolane-4-heptanoic acid, 5-(1-hydroxy-2,4,6-heptatriynyl)-2-oxo-, methyl ester, (4S-(4-alpha,5-beta(S*)))-
RN: 115216-95-0
InChIKey: YHKYOCPCNKEVQR-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C18-H20-O6

Molecular Weight

  • 332.35
 
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Names and Synonyms

Synonyms

  • BRN 4271675
  • EV-22 methyl ester
  • L 663992
  • RTECS JX5628000
  • Sch 31828 methyl ester

Systematic Name

  • 1,3-Dioxolane-4-heptanoic acid, 5-(1-hydroxy-2,4,6-heptatriynyl)-2-oxo-, methyl ester, (4S-(4-alpha,5-beta(S*)))-

Registry Numbers

CAS Registry Number

  • 115216-95-0

System Generated Number

  • 0115216950

Structure Descriptors

InChI

1S/C18H20O6/c1-3-4-5-8-11-14(19)17-15(23-18(21)24-17)12-9-6-7-10-13-16(20)22-2/h1,14-15,17,19H,6-7,9-10,12-13H2,2H3

InChIKey

YHKYOCPCNKEVQR-UHFFFAOYSA-N

Smiles

COC(=O)CCCCCCC1C(OC(=O)O1)C(C#CC#CC#C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 794, 1988.