Chem
J-GLOBAL ID：200907057460442321   Nikkaji number：J2.577.825A

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]3,6-dioxaoctane-1,8-diyl 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]3,6-ジオキサオクタン-1,8-ジイル
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： C34H40O12
Molecular formula furigana： C34-H40-O12
Molecular weight： 640.682
InChI： InChI=1S/C34H40O12/c1-31-19-33(3)27(31)23(15-25(35)45-33)43-17-21-6-5-7-22(14-21)18-44-24-16-26(36)46-34(4)20-32(2,28(24)34)30(38)42-13-11-40-9-8-39-10-12-41-29(31)37/h5-7,14-16,27-28H,8-13,17-20H2,1-4H3/t27-,28-,31+,32+,33+,34+/m1/s1
InChI key： TWXPJIPHWVOLCO-XNJKOWBISA-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)OCCOCCOCCOC3=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]3,6-ジオキサオクタン-1,8-ジイル
  • (15S,16R,17S,30S,32S,36R)-15,17,30,32-テトラメチル-2,10,14,19,22,25,28,33-オクタオキサヘキサシクロ[28.5.1.14,8.115,17.011,16.032,36]オクタトリアコンタ-1(35),4,6,8(38),11-ペンタエン-13,18,29,34-テトラオン
  • (15S,16R,17S,30S,32S,36R)-15,17,30,32-tetramethyl-2,10,14,19,22,25,28,33-octaoxahexacyclo[28.5.1.14,8.115,17.011,16.032,36]octatriaconta-1(35),4,6,8(38),11-pentaene-13,18,29,34-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]3,6-dioxaoctane-1,8-diyl ester
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