Chem
J-GLOBAL ID：200907044763800641
Nikkaji number：J1.761.736B
(3aS,11bR)-7-[(Z)-3-Bromopropenoyl]-1,2,3,3aα,4,6aβ-hexahydro-7H-pyrrolo[2,3-d]carbazole-3-carboxylic acid tert-butyl ester
(3aS,11bR)-7-[(Z)-3-ブロモプロペノイル]-1,2,3,3aα,4,6aβ-ヘキサヒドロ-7H-ピロロ[2,3-d]カルバゾール-3-カルボン酸tert-ブチル
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： C22H25BrN2O3
Molecular formula furigana： C22-H25-BR-N2-O3
Molecular weight： 445.357
InChI：
InChI=1S/C22H25BrN2O3/c1-21(2,3)28-20(27)24-14-12-22-15-7-4-5-8-16(15)25(19(26)11-13-23)18(22)10-6-9-17(22)24/h4-8,10-11,13,17-18H,9,12,14H2,1-3H3/b13-11-/t17-,18-,22+/m0/s1
InChI key：
JJPUBAKGHCLRSG-HVPBMMKMSA-N
SMILES：
CC(C)(C)OC(=O)N1CC[C@@]23[C@@H]1CC=C[C@@H]2N(C(=O)/C=C\Br)c1ccccc31
Systematic name (3)：
- (3aS,11bR)-7-[(Z)-3-ブロモプロペノイル]-1,2,3,3aα,4,6aβ-ヘキサヒドロ-7H-ピロロ[2,3-d]カルバゾール-3-カルボン酸tert-ブチル
- tert-ブチル (3aS,6aS,11bR)-7-[(2Z)-3-ブロモプロパ-2-エノイル]-1H,2H,3H,3aH,4H,6aH,7H-ピロロ[2,3-f]カルバゾール-3-カルボキシラート
- tert-butyl (3aS,6aS,11bR)-7-[(2Z)-3-bromoprop-2-enoyl]-1H,2H,3H,3aH,4H,6aH,7H-pyrrolo[2,3-f]carbazole-3-carboxylate
- (3aS,11bR)-7-[(Z)-3-Bromopropenoyl]-1,2,3,3aα,4,6aβ-hexahydro-7H-pyrrolo[2,3-d]carbazole-3-carboxylic acid tert-butyl ester
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