Rotenone

CAS Registry Number®

83-79-4
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CAS Name

Rotenone

Molecular Formula

C23H22O6

Molecular Mass

394.42

Cite this Page

Rotenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=83-79-4 (retrieved 2024-04-20) (CAS RN: 83-79-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210-220 °C @ Press: 0.5 Torr

  • Melting Point (1)

    165-166 °C

  • Density (1)

    1.27 g/cm³ @ Temp: 20 °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/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1

InChIKey

InChIKey=JUVIOZPCNVVQFO-HBGVWJBISA-N

SMILES

O=C1C=2C(=C3C(O[C@@H](C(C)=C)C3)=CC2)O[C@]4([C@@]1(C=5C(OC4)=CC(OC)=C(OC)C5)[H])[H]

Canonical SMILES

O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14

Other Names for this Substance

  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-
  • Rotenone
  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aαH)-one, 1,2,12,12aα-tetrahydro-2α-isopropenyl-8,9-dimethoxy-
  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2α,6aα,12aα)]-
  • (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

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Deleted or Replaced CAS Registry Numbers

12679-58-2

CAS INSIGHTSTM
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