Chem
J-GLOBAL ID:200907050041453815   Nikkaji number:J741.189H

(3aS,7aR)-2-Phenyl-5-[[(1S,2R,4R)-4,7,7-trimethyl-3β-(neopentyloxy)bicyclo[2.2.1]heptan-2β-yl]sulfinyl]-3a,4,7,7a-tetrahydroisoindoline-1,3-dione

(3aS,7aR)-2-フェニル-5-[[(1S,2R,4R)-4,7,7-トリメチル-3β-(ネオペンチルオキシ)ビシクロ[2.2.1]ヘプタン-2β-イル]スルフィニル]-3a,4,7,7a-テトラヒドロイソインドリン-1,3-ジオン
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: C29H39NO4S
Molecular formula furigana: C29-H39-N-O4-S
Molecular weight: 497.690
InChI: InChI=1S/C29H39NO4S/c1-27(2,3)17-34-24-23(22-14-15-29(24,6)28(22,4)5)35(33)19-12-13-20-21(16-19)26(32)30(25(20)31)18-10-8-7-9-11-18/h7-12,20-24H,13-17H2,1-6H3/t20-,21+,22-,23-,24-,29+,35?/m1/s1
InChI key: WCYLOSPYQAGZQO-BAHPMYFTSA-N
SMILES: CC(C)(C)CO[C@@H]1[C@@H]([C@H]2CC[C@]1(C)C2(C)C)S(=O)C1=CC[C@@H]2[C@H](C1)C(=O)N(C2=O)c1ccccc1
Systematic name  (3):
  • (3aS,7aR)-2-フェニル-5-[[(1S,2R,4R)-4,7,7-トリメチル-3β-(ネオペンチルオキシ)ビシクロ[2.2.1]ヘプタン-2β-イル]スルフィニル]-3a,4,7,7a-テトラヒドロイソインドリン-1,3-ジオン
  • (3aS,7aR)-5-{[(1S,2R,3S,4R)-3-(2,2-ジメチルプロポキシ)-4,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル]スルフィニル}-2-フェニル-2,3,3a,4,7,7a-ヘキサヒドロ-1H-イソインドール-1,3-ジオン
  • (3aS,7aR)-5-{[(1S,2R,3S,4R)-3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]sulfinyl}-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
Other name (1):
  • (3aS,7aR)-2-Phenyl-5-[[(1S,2R,4R)-4,7,7-trimethyl-3β-(neopentyloxy)bicyclo[2.2.1]heptan-2β-yl]sulfinyl]-3a,4,7,7a-tetrahydroisoindoline-1,3-dione
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