Chem
J-GLOBAL ID：200907001791295870   Nikkaji number：J2.566.819G

(1S,3R)-4-Phenylspiro[2.5]octa-4-ene-1β,7α-dicarboxylic acid 1-methyl 7-tert-butyl ester

(1S,3R)-4-フェニルスピロ[2.5]オクタ-4-エン-1β,7α-ジカルボン酸1-メチル7-tert-ブチル
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： C21H26O4
Molecular formula furigana： C21-H26-O4
Molecular weight： 342.435
InChI： InChI=1S/C21H26O4/c1-20(2,3)25-18(22)15-10-11-16(14-8-6-5-7-9-14)21(12-15)13-17(21)19(23)24-4/h5-9,11,15,17H,10,12-13H2,1-4H3/t15-,17+,21+/m0/s1
InChI key： RXXJSKSUIAJAFB-LUQKVYGDSA-N
SMILES： COC(=O)[C@H]1C[C@]21C[C@H](CC=C2c1ccccc1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • (1S,3R)-4-フェニルスピロ[2.5]オクタ-4-エン-1β,7α-ジカルボン酸1-メチル7-tert-ブチル
  • 5-tert-ブチル 1-メチル (1S,3R,5S)-8-フェニルスピロ[2.5]オクタ-7-エン-1,5-ジカルボキシラート
  • 5-tert-butyl 1-methyl (1S,3R,5S)-8-phenylspiro[2.5]oct-7-ene-1,5-dicarboxylate
Other name (1)：
  • (1S,3R)-4-Phenylspiro[2.5]octa-4-ene-1β,7α-dicarboxylic acid 1-methyl 7-tert-butyl ester
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