Chem
J-GLOBAL ID：200907041486341317
Nikkaji number：J2.125.901B
(5aR)-8-Hydroxy-1,2,5aβ,10cβ-tetrahydrospiro[3H-phenanthro[10,1-bc]furan-3,2′-[1,3]dioxolane]-10bβ(6H)-carbonitrile
(5aR)-8-ヒドロキシ-1,2,5aβ,10cβ-テトラヒドロスピロ[3H-フェナントロ[10,1-bc]フラン-3,2′-[1,3]ジオキソラン]-10bβ(6H)-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： C18H17NO4
Molecular formula furigana： C18-H17-N-O4
Molecular weight： 311.337
InChI：
InChI=1S/C18H17NO4/c19-10-17-3-4-18(22-5-6-23-18)14-9-21-15(16(14)17)8-11-7-12(20)1-2-13(11)17/h1-2,7,9,15-16,20H,3-6,8H2/t15-,16-,17-/m1/s1
InChI key：
MQCRYWDZHHAQLJ-BRWVUGGUSA-N
SMILES：
Oc1ccc2c(C[C@H]3OC=C4[C@H]3[C@]2(CCC24OCCO2)C#N)c1
Systematic name (4)：
- (5aR)-8-ヒドロキシ-1,2,5aβ,10cβ-テトラヒドロスピロ[3H-フェナントロ[10,1-bc]フラン-3,2′-[1,3]ジオキソラン]-10bβ(6H)-カルボニトリル
- (5aR)-8-ヒドロキシ-1,2,5aβ,6,10b,10cβ-ヘキサヒドロスピロ[3H-フェナントロ[10,1-bc]フラン-3,2′-[1,3]ジオキソラン]-10bβ-カルボニトリル
- (1'S,9'R,16'R)-5'-ヒドロキシ-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',11'-テトラエン-1'-カルボニトリル
- (1'S,9'R,16'R)-5'-hydroxy-10'-oxaspiro[1,3-dioxolane-2,13'-tetracyclo[7.6.1.02,7.012,16]hexadecane]-2',4',6',11'-tetraene-1'-carbonitrile
- (5aR)-8-Hydroxy-1,2,5aβ,10cβ-tetrahydrospiro[3H-phenanthro[10,1-bc]furan-3,2′-[1,3]dioxolane]-10bβ(6H)-carbonitrile
- (5aR)-8-Hydroxy-1,2,5aβ,6,10b,10cβ-hexahydrospiro[3H-phenanthro[10,1-bc]furan-3,2′-[1,3]dioxolane]-10bβ-carbonitrile
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