12alpha-HYDROXYROTENONE
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12alpha-HYDROXYROTENONE
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CAS No:
509-96-6
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Formula:
C23H22O7
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Chemical Name:
12alpha-HYDROXYROTENONE
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Synonyms:
(2R)-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;(2R)-2α-(1-Methylvinyl)-6aα-hydroxy-8,9-dimethoxy-1,2,6,6a,12,12aα-hexahydro[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6-one;(2R)-6aα-Hydroxy-1,2,12,12aα-tetrahydro-2α-isopropenyl-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one;12a-Hydroxyrotenone;12α-Hydroxyrotenone;Rotenolone I;(1)Benzopyrano(3,4-B)furo(2,3-H)(1)benzopyran-6(6ah)-one, 1,2,12,12A-alpha-tetrahydro-6A-alpha-hydroxy-2-alpha-isopropenyl-8,9-dimethoxy-;6A-beta,12A-beta-Rotenolone
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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
1.358±0.06 g/cm3(Predicted)
140-141 °C
623.1±55.0 °C(Predicted)
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
10.48±0.40(Predicted)
Safety Information
The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials
12alpha-HYDROXYROTENONE Use and Manufacturing
Rotenolone is an antiproliferative agent. Rotenolone shows antiproliferative activity against the ovarian cancer A2780, breast cancer BT-549, prostate cancer DU 145, NSCLC NCI-H460, and colon cancer HCC-2998 cell lines, with IC50s of 0.95, 1.6, 2.7, 2.0, and 2.9 μM, respectively[1].
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
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