Chem
J-GLOBAL ID：200907026797246009   Nikkaji number：J820.728C

N-(4-Bromophenyl)carbamic acid [1-formyl-2,8-dimethyl-8α-(4-methyl-3-pentenyl)-4-oxo-3,3aβ,4,7,8,8aα-hexahydroazulen]-5-ylmethyl ester

N-(4-ブロモフェニル)カルバミド酸[1-ホルミル-2,8-ジメチル-8α-(4-メチル-3-ペンテニル)-4-オキソ-3,3aβ,4,7,8,8aα-ヘキサヒドロアズレン]-5-イルメチル
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： C27H32BrNO4
Molecular formula furigana： C27-H32-BR-N-O4
Molecular weight： 514.460
InChI： InChI=1S/C27H32BrNO4/c1-17(2)6-5-12-27(4)13-11-19(25(31)22-14-18(3)23(15-30)24(22)27)16-33-26(32)29-21-9-7-20(28)8-10-21/h6-11,15,22,24H,5,12-14,16H2,1-4H3,(H,29,32)/t22-,24+,27-/m0/s1
InChI key： IUQHIAGJBUYDAW-LLGBQNBKSA-N
SMILES： CC(=CCC[C@@]1(C)CC=C(COC(=O)Nc2ccc(Br)cc2)C(=O)[C@H]2CC(=C(C=O)[C@H]12)C)C
Systematic name  (3)：
  • N-(4-ブロモフェニル)カルバミド酸[1-ホルミル-2,8-ジメチル-8α-(4-メチル-3-ペンテニル)-4-オキソ-3,3aβ,4,7,8,8aα-ヘキサヒドロアズレン]-5-イルメチル
  • [(3aS,8S,8aS)-1-ホルミル-2,8-ジメチル-8-(4-メチルペンタ-3-エン-1-イル)-4-オキソ-3,3a,4,7,8,8a-ヘキサヒドロアズレン-5-イル]メチル N-(4-ブロモフェニル)カルバマート
  • [(3aS,8S,8aS)-1-formyl-2,8-dimethyl-8-(4-methylpent-3-en-1-yl)-4-oxo-3,3a,4,7,8,8a-hexahydroazulen-5-yl]methyl N-(4-bromophenyl)carbamate
Other name (1)：
  • N-(4-Bromophenyl)carbamic acid [1-formyl-2,8-dimethyl-8α-(4-methyl-3-pentenyl)-4-oxo-3,3aβ,4,7,8,8aα-hexahydroazulen]-5-ylmethyl ester
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