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Substance Name: Flexibilide
RN: 65669-72-9
InChIKey: YKKJETNBRNDYKN-BZLNSZKZSA-N

Note

  • Cembranoid lactone.

Classification Code

  • Natural Product

Molecular Formula

  • C20-H30-O4

Molecular Weight

  • 334.453
 
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Names and Synonyms

Name of Substance

  • Flexibilide

Synonyms

  • Flexibilide
  • NSC 285706
  • Sinularin

Systematic Names

  • 5,15-Dioxatricyclo(12.3.1.0(4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-
  • 5,15-Dioxatricyclo(12.3.1.0(sup 4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-

Registry Numbers

CAS Registry Number

  • 65669-72-9

System Generated Number

  • 0065669729

Structure Descriptors

InChI

1S/C20H30O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6-/t15-,16+,17-,19+,20+/m0/s1

InChIKey

YKKJETNBRNDYKN-BZLNSZKZSA-N

Smiles

O1[C@]2([C@H]1CCC(=CCC[C@@]([C@H]1OC(C([C@H](CC2)C1)=C)=O)(O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 502mg/kg (502mg/kg)   Agents and Actions, A Swiss Journal of Pharmacology. Vol. 10, Pg. 361, 1980.