Chem
J-GLOBAL ID：200907045602066308
Nikkaji number：J1.533.379K
(1S)-1′,9′-Dimethoxy-3-(phenylsulfinyl)-3′-methyl-6′,7′-dihydrospiro[3-cyclopentene-1,8′-[8H]cyclopenta[g]isoquinoline]-2,5-dione
(8S)-3'-(ベンゼンスルフィニル)-1,9-ジメトキシ-3-メチル-6,7-ジヒドロスピロ[シクロペンタ[g]イソキノリン-8,1'-シクロペンタン]-3'-エン-2',5'-ジオン
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： C25H21NO5S
Molecular formula furigana： C25-H21-N-O5-S
Molecular weight： 447.510
InChI：
InChI=1S/C25H21NO5S/c1-14-11-16-12-15-9-10-25(21(15)22(30-2)20(16)24(26-14)31-3)19(27)13-18(23(25)28)32(29)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3/t25-,32?/m1/s1
InChI key：
PUTAEXJKDDEODG-LYYPKXFYSA-N
SMILES：
COc1nc(C)cc2cc3CC[C@@]4(C(=O)C=C(C4=O)S(=O)c4ccccc4)c3c(OC)c12
Systematic name (3)：
- (1S)-1′,9′-ジメトキシ-3-(フェニルスルフィニル)-3′-メチル-6′,7′-ジヒドロスピロ[3-シクロペンテン-1,8′-[8H]シクロペンタ[g]イソキノリン]-2,5-ジオン
- (8S)-3'-(ベンゼンスルフィニル)-1,9-ジメトキシ-3-メチル-6,7-ジヒドロスピロ[シクロペンタ[g]イソキノリン-8,1'-シクロペンタン]-3'-エン-2',5'-ジオン
- (8S)-3'-(benzenesulfinyl)-1,9-dimethoxy-3-methyl-6,7-dihydrospiro[cyclopenta[g]isoquinoline-8,1'-cyclopentan]-3'-ene-2',5'-dione
- (1S)-1′,9′-Dimethoxy-3-(phenylsulfinyl)-3′-methyl-6′,7′-dihydrospiro[3-cyclopentene-1,8′-[8H]cyclopenta[g]isoquinoline]-2,5-dione
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