CAS Registry Number®
83-79-4
CAS Name
Rotenone
Molecular Formula
C23H22O6
Molecular Mass
394.42
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
Deleted or Replaced CAS Registry Numbers
12679-58-2
