Chem
J-GLOBAL ID：200907019332000473   Nikkaji number：J2.577.824C

5,5′-[1,3-Phenylenebis(methyleneoxy)]bis[(1S,6β)-1β-methyl-3-oxo-7-methyl-2-oxabicyclo[4.2.0]octa-4-ene-7β-carboxylic acid](oxybisethylene) ester

5,5′-[1,3-フェニレンビス(メチレンオキシ)]ビス[(1S,6β)-1β-メチル-3-オキソ-7-メチル-2-オキサビシクロ[4.2.0]オクタ-4-エン-7β-カルボン酸](オキシビスエチレン)
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： C32H36O11
Molecular formula furigana： C32-H36-O11
Molecular weight： 596.629
InChI： InChI=1S/C32H36O11/c1-29-17-31(3)25(29)21(13-23(33)42-31)40-15-19-6-5-7-20(12-19)16-41-22-14-24(34)43-32(4)18-30(2,26(22)32)28(36)39-11-9-37-8-10-38-27(29)35/h5-7,12-14,25-26H,8-11,15-18H2,1-4H3/t25-,26-,29+,30+,31+,32+/m1/s1
InChI key： AVDYRIDGAADKAX-XSQZPVOYSA-N
SMILES： C[C@]12C[C@@]3(C)[C@H]1C(=CC(=O)O2)OCc1cccc(COC2=CC(=O)O[C@@]4(C)C[C@@](C)([C@@H]24)C(=O)OCCOCCOC3=O)c1
Systematic name  (3)：
  • 5,5′-[1,3-フェニレンビス(メチレンオキシ)]ビス[(1S,6β)-1β-メチル-3-オキソ-7-メチル-2-オキサビシクロ[4.2.0]オクタ-4-エン-7β-カルボン酸](オキシビスエチレン)
  • (15S,16R,17S,27S,29S,33R)-15,17,27,29-テトラメチル-2,10,14,19,22,25,30-ヘプタオキサヘキサシクロ[25.5.1.14,8.115,17.011,16.029,33]ペンタトリアコンタ-1(32),4,6,8(35),11-ペンタエン-13,18,26,31-テトラオン
  • (15S,16R,17S,27S,29S,33R)-15,17,27,29-tetramethyl-2,10,14,19,22,25,30-heptaoxahexacyclo[25.5.1.14,8.115,17.011,16.029,33]pentatriaconta-1(32),4,6,8(35),11-pentaene-13,18,26,31-tetrone
Other name (1)：
  • 5,5′-[1,3-Phenylenebis(methyleneoxy)]bis[(1S,6β)-1β-methyl-3-oxo-7-methyl-2-oxabicyclo[4.2.0]octa-4-ene-7β-carboxylic acid](oxybisethylene) ester
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