Cicutoxin

CAS Registry Number®

505-75-9
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CAS Name

Cicutoxin

Molecular Formula

C17H22O2

Molecular Mass

258.36

Cite this Page

Cicutoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=505-75-9 (retrieved 2024-04-18) (CAS RN: 505-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    67 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1

InChIKey

InChIKey=FQVNSJQTSOVRKZ-JNRDBWBESA-N

SMILES

C(/C=C/C=C/C#CC#CCCCO)=C\[C@@H](CCC)O

Canonical SMILES

OCCCC#CC#CC=CC=CC=CC(O)CCC

Other Names for this Substance

  • 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol, (8E,10E,12E,14R)-(-)-
  • Cicutoxin
  • 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol, (E,E,E)-(-)-
  • (8E,10E,12E,14R)-8,10,12-Heptadecatriene-4,6-diyne-1,14-diol
  • NSC 606489

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