Rotenolone
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Rotenolone
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CAS No:
509-96-6
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Formula:
C23H22O7
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Chemical Name:
Rotenolone
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Synonyms:
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-,(2R,6aR,12aR)-;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12aα-tetrahydro-6aα-hydroxy-2α-isopropenyl-8,9-dimethoxy-;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-,[2R-(2α,6aα,12aα)]-;(2R,6aR,12aR)-1,2,12,12a-Tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one;Rotenolone I;6aβ,12aβ-Rotenolone;Rotenolone;12a-Hydroxyrotenone;Rotenolon I;Rotenalone;(-)-cis-12a-Hydroxyrotenone;12-Hydroxyrotenone;(-)-12α-Hydroxyrotenone;6811-43-4;36375-22-1
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CAS No:
Description
Solid
Solid
12a-hydroxyrotenone is an organic molecular entity. It has a role as a metabolite.
Characteristics
83.4
3.3
Solid
140-141 °C
Oral-mouse LD50: 4.1 mg/kg; peritoneal-mouse LD50: 4.1 mg/kg
Open flames are flammable; heated to decompose toxic and pungent gas
Safety Information
The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials
Computed Properties
Molecular Weight:410.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:410.13655304
Monoisotopic Mass:410.13655304
Topological Polar Surface Area:83.4
Heavy Atom Count:30
Complexity:710
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes