Chem
J-GLOBAL ID:200907049579294581   Nikkaji number:J723.978E

2β,3β-[4α,5α-(5H-Cyclopenta[2,1-b:3,4-b′]dipyridine-5,5-diyl)cyclopentane-1β,3β-diyl]-5β,6β-(cyclopentane-1β,3β-diyl)tetrahydroDewar benzene-1β,4β-dicarboxylic acid dimethyl ester

2β,3β-[4α,5α-(5H-シクロペンタ[2,1-b:3,4-b′]ジピリジン-5,5-ジイル)シクロペンタン-1β,3β-ジイル]-5β,6β-(シクロペンタン-1β,3β-ジイル)テトラヒドロDewarベンゼン-1β,4β-ジカルボン酸ジメチル
Substance type:
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
Molecular formula: C31H30N2O4
Molecular formula furigana: C31-H30-N2-O4
Molecular weight: 494.591
InChI: InChI=1S/C31H30N2O4/c1-36-27(34)30-19-13-7-8-14(11-13)20(19)31(30,28(35)37-2)24-16-12-15(23(24)30)21-22(16)29(21)17-5-3-9-32-25(17)26-18(29)6-4-10-33-26/h3-6,9-10,13-16,19-24H,7-8,11-12H2,1-2H3/t13-,14+,15-,16+,19+,20-,21+,22-,23-,24+,30+,31-
InChI key: CBSQFTUSMURVKV-NYOJKPGRSA-N
SMILES: COC(=O)[C@]12[C@H]3[C@H]([C@@H]4CC[C@H]3C4)[C@]1([C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2C21c1cccnc1c1ncccc21)C(=O)OC
Systematic name  (3):
  • 2β,3β-[4α,5α-(5H-シクロペンタ[2,1-b:3,4-b′]ジピリジン-5,5-ジイル)シクロペンタン-1β,3β-ジイル]-5β,6β-(シクロペンタン-1β,3β-ジイル)テトラヒドロDewarベンゼン-1β,4β-ジカルボン酸ジメチル
  • 3,10-ジメチル (1R,2R,3R,4S,5R,8S,9R,10S,11S,12S,13R,15S)-3',13'-ジアザスピロ[ヘプタシクロ[10.3.1.15,8.02,11.03,10.04,9.013,15]ヘプタデカン-14,8'-トリシクロ[7.4.0.02,7]トリデカン]-1'(13'),2',4',6',9',11'-ヘキサエン-3,10-ジカルボキシラート
  • 3,10-dimethyl (1R,2R,3R,4S,5R,8S,9R,10S,11S,12S,13R,15S)-3',13'-diazaspiro[heptacyclo[10.3.1.15,8.02,11.03,10.04,9.013,15]heptadecane-14,8'-tricyclo[7.4.0.02,7]tridecane]-1'(13'),2',4',6',9',11'-hexaene-3,10-dicarboxylate
Other name (1):
  • 2β,3β-[4α,5α-(5H-Cyclopenta[2,1-b:3,4-b′]dipyridine-5,5-diyl)cyclopentane-1β,3β-diyl]-5β,6β-(cyclopentane-1β,3β-diyl)tetrahydroDewar benzene-1β,4β-dicarboxylic acid dimethyl ester
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