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509-96-6

509-96-6 Structure

509-96-6 Structure
IdentificationBack Directory
[Name]

12alpha-HYDROXYROTENONE
[CAS]

509-96-6
[Synonyms]

Rotenalone
Rotenolone I
12a-Hydroxyrotenone
12α-Hydroxyrotenone
6A-beta,12A-beta-Rotenolone
(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
(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
(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-
[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)-
[Molecular Formula]

C23H22O7
[MDL Number]

MFCD01662622
[MOL File]

509-96-6.mol
[Molecular Weight]

410.42
Chemical PropertiesBack Directory
[Melting point ]

140-141 °C
[Boiling point ]

623.1±55.0 °C(Predicted)
[density ]

1.358±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

10.48±0.40(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

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].
[Definition]

ChEBI: 12a-hydroxyrotenone is an organic molecular entity. It has a role as a metabolite.
[References]

[1] Harinantenaina L, et, al. Antiproliferative compounds from Pongamiopsis pervilleana from the Madagascar Dry Forest. J Nat Prod. 2010 Sep 24;73(9):1559-62. DOI:10.1021/np100430r
Spectrum DetailBack Directory
[Spectrum Detail]

12alpha-HYDROXYROTENONE(509-96-6)1HNMR
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