Chem
J-GLOBAL ID：200907000107115609
Nikkaji number：J1.753.734B
(5aR,10bS,10cS)-4-(2-Hydroxyethoxy)-8-methoxy-1,3a,4,5a,6,10b,10c-heptahydrospiro[5-oxaacephenanthrylene-3(2H),2′-[1,3]dioxolane]-10b-carbonitrile
(5aR,10bS,10cS)-4-(2-ヒドロキシエトキシ)-8-メトキシ-1,3a,4,5a,6,10b,10c-ヘプタヒドロスピロ[5-オキサアセフェナントリレン-3(2H),2′-[1,3]ジオキソラン]-10b-カルボニトリル
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： C21H25NO6
Molecular formula furigana： C21-H25-N-O6
Molecular weight： 387.432
InChI：
InChI=1S/C21H25NO6/c1-24-14-2-3-15-13(10-14)11-16-17-18(19(28-16)25-7-6-23)21(26-8-9-27-21)5-4-20(15,17)12-22/h2-3,10,16-19,23H,4-9,11H2,1H3/t16-,17+,18?,19?,20-/m1/s1
InChI key：
ZXJOAVCJWVKZPA-QWRMLLQVSA-N
SMILES：
COc1ccc2c(C[C@H]3OC(OCCO)C4[C@H]3[C@]2(CCC24OCCO2)C#N)c1
Systematic name (3)：
- (5aR,10bS,10cS)-4-(2-ヒドロキシエトキシ)-8-メトキシ-1,3a,4,5a,6,10b,10c-ヘプタヒドロスピロ[5-オキサアセフェナントリレン-3(2H),2′-[1,3]ジオキソラン]-10b-カルボニトリル
- (1'S,9'R,16'S)-11'-(2-ヒドロキシエトキシ)-5'-メトキシ-10'-オキサスピロ[1,3-ジオキソラン-2,13'-テトラシクロ[7.6.1.02,7.012,16]ヘキサデカン]-2',4',6'-トリエン-1'-カルボニトリル
- (1'S,9'R,16'S)-11'-(2-hydroxyethoxy)-5'-methoxy-10'-oxaspiro[1,3-dioxolane-2,13'-tetracyclo[7.6.1.02,7.012,16]hexadecane]-2',4',6'-triene-1'-carbonitrile
- (5aR,10bS,10cS)-4-(2-Hydroxyethoxy)-8-methoxy-1,3a,4,5a,6,10b,10c-heptahydrospiro[5-oxaacephenanthrylene-3(2H),2′-[1,3]dioxolane]-10b-carbonitrile
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