Chem
J-GLOBAL ID:200907050578533955   Nikkaji number:J1.677.243G

(3R,6S,9S)-3-(5-tert-Butoxy-1,2-dihydrobenzocyclobutene-1-yl)-2-oxo-6,9-divinyl-1-oxaspiro[4.4]nonane-3-carboxylic acid methyl ester

(3R,6S,9S)-3-(5-tert-ブトキシ-1,2-ジヒドロベンゾシクロブテン-1-イル)-2-オキソ-6,9-ジビニル-1-オキサスピロ[4.4]ノナン-3-カルボン酸メチル
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: C26H32O5
Molecular formula furigana: C26-H32-O5
Molecular weight: 424.537
InChI: InChI=1S/C26H32O5/c1-7-17-10-11-18(8-2)26(17)15-25(22(27)29-6,23(28)31-26)21-13-16-9-12-19(14-20(16)21)30-24(3,4)5/h7-9,12,14,17-18,21H,1-2,10-11,13,15H2,3-6H3/t17-,18-,21?,25-/m1/s1
InChI key: IKBQCEPJFVSDBA-NUOFTWNESA-N
SMILES: COC(=O)[C@@]1(CC2(OC1=O)[C@@H](CC[C@H]2C=C)C=C)C1Cc2ccc(OC(C)(C)C)cc12
Systematic name  (3):
  • (3R,6S,9S)-3-(5-tert-ブトキシ-1,2-ジヒドロベンゾシクロブテン-1-イル)-2-オキソ-6,9-ジビニル-1-オキサスピロ[4.4]ノナン-3-カルボン酸メチル
  • メチル (3R,6S,9S)-3-[4-(tert-ブトキシ)ビシクロ[4.2.0]オクタ-1,3,5-トリエン-7-イル]-6,9-ジエテニル-2-オキソ-1-オキサスピロ[4.4]ノナン-3-カルボキシラート
  • methyl (3R,6S,9S)-3-[4-(tert-butoxy)bicyclo[4.2.0]octa-1,3,5-trien-7-yl]-6,9-diethenyl-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
Other name (1):
  • (3R,6S,9S)-3-(5-tert-Butoxy-1,2-dihydrobenzocyclobutene-1-yl)-2-oxo-6,9-divinyl-1-oxaspiro[4.4]nonane-3-carboxylic acid methyl ester
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