Chem
J-GLOBAL ID：200907064306902880
Nikkaji number：J12.204A
Rotenolone
ロテノロンI
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C23H22O7
Molecular formula furigana： C23-H22-O7
Molecular weight： 410.422
InChI：
InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
InChI key：
JFVKWCYZKMUTLH-AYPBNUJASA-N
SMILES：
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(O)c2cc1OC)C(=C)C
Systematic name (11)：
- (2R)-1,2,12,12aα-テトラヒドロ-6aα-ヒドロキシ-2α-イソプロペニル-8,9-ジメトキシ-[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6(6aH)-オン
- (2R)-6aα-ヒドロキシ-1,2,12,12aα-テトラヒドロ-2α-イソプロペニル-8,9-ジメトキシ[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6(6aH)-オン
- (2R)-2α-(1-メチルビニル)-6aα-ヒドロキシ-8,9-ジメトキシ-1,2,6,6a,12,12aα-ヘキサヒドロ[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6-オン
- (2R)-2α-イソプロペニル-6aα-ヒドロキシ-8,9-ジメトキシ-1,2,12,12aα-テトラヒドロ[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6(6aH)-オン
- (2R)-2α-イソプロペニル-8,9-ジメトキシ-6aα-ヒドロキシ-1,2,6,6a,12,12aα-ヘキサヒドロ[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6-オン
Show all
- ロテノロンI
- Rotenolone I
- (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
- 12α-ヒドロキシロテノン
- 12α-Hydroxyrotenone
Show all
KEGG COMPOUND：
C10464
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