Chem
J-GLOBAL ID：200907096728026631   Nikkaji number：J825.662D

(αE,1β,6β)-3,7α-Dimethoxy-4β-(tert-butoxycarbonyl)bicyclo[4.1.0]hept-2-ene-7-propenoic acid ethyl ester

(αE,1β,6β)-3,7α-ジメトキシ-4β-(tert-ブトキシカルボニル)ビシクロ[4.1.0]ヘプタ-2-エン-7-プロペン酸エチル
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： C19H28O6
Molecular formula furigana： C19-H28-O6
Molecular weight： 352.427
InChI： InChI=1S/C19H28O6/c1-7-24-16(20)8-9-19(23-6)13-10-12(15(22-5)11-14(13)19)17(21)25-18(2,3)4/h8-9,11-14H,7,10H2,1-6H3/b9-8+/t12-,13-,14+,19-/m0/s1
InChI key： IUEAHBLMPKFASL-LMNSPJFFSA-N
SMILES： CCOC(=O)/C=C/[C@]1(OC)[C@H]2C[C@H](C(=O)OC(C)(C)C)C(=C[C@@H]12)OC
Systematic name  (3)：
  • (αE,1β,6β)-3,7α-ジメトキシ-4β-(tert-ブトキシカルボニル)ビシクロ[4.1.0]ヘプタ-2-エン-7-プロペン酸エチル
  • tert-ブチル (1S,3S,6R,7S)-7-[(1E)-3-エトキシ-3-オキソプロパ-1-エン-1-イル]-4,7-ジメトキシビシクロ[4.1.0]ヘプタ-4-エン-3-カルボキシラート
  • tert-butyl (1S,3S,6R,7S)-7-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-4,7-dimethoxybicyclo[4.1.0]hept-4-ene-3-carboxylate
Other name (1)：
  • (αE,1β,6β)-3,7α-Dimethoxy-4β-(tert-butoxycarbonyl)bicyclo[4.1.0]hept-2-ene-7-propenoic acid ethyl ester
Thsaurus map：
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