Chem
J-GLOBAL ID：200907079973766444   Nikkaji number：J748.006G

(11R,12R)-2,6-Bis(decyloxy)-9,10-dihydro-9β,10β-ethanoanthracene-11,12-dicarboxylic acid bis(1β,1′-bi[cyclohexan]-4α-yl) ester

(11R,12R)-2,6-ビス(デシルオキシ)-9,10-ジヒドロ-9β,10β-エタノアントラセン-11,12-ジカルボン酸ビス(1β,1′-ビ[シクロヘキサン]-4α-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： C62H94O6
Molecular formula furigana： C62-H94-O6
Molecular weight： 935.428
InChI： InChI=1S/C62H94O6/c1-3-5-7-9-11-13-15-23-41-65-51-37-39-53-55(43-51)57-54-40-38-52(66-42-24-16-14-12-10-8-6-4-2)44-56(54)58(53)60(62(64)68-50-35-31-48(32-36-50)46-27-21-18-22-28-46)59(57)61(63)67-49-33-29-47(30-34-49)45-25-19-17-20-26-45/h37-40,43-50,57-60H,3-36,41-42H2,1-2H3/t47-,48-,49-,50-,57-,58-,59-,60-/m1/s1
InChI key： DVCQUDVGHCMTFT-UJISYIAISA-N
SMILES： CCCCCCCCCCOc1ccc2[C@H]3[C@H]([C@@H]([C@H](c4ccc(OCCCCCCCCCC)cc34)c2c1)C(=O)O[C@H]1CC[C@@H](CC1)C1CCCCC1)C(=O)O[C@H]1CC[C@@H](CC1)C1CCCCC1
Systematic name  (3)：
  • (11R,12R)-2,6-ビス(デシルオキシ)-9,10-ジヒドロ-9β,10β-エタノアントラセン-11,12-ジカルボン酸ビス(1β,1′-ビ[シクロヘキサン]-4α-イル)
  • 15,16-ビス[(1r,4r)-[1,1'-ビ(シクロヘキサン)]-4-イル] (1R,8R,15R,16R)-4,11-ビス(デシルオキシ)テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-15,16-ジカルボキシラート
  • 15,16-bis[(1r,4r)-[1,1'-bi(cyclohexane)]-4-yl] (1R,8R,15R,16R)-4,11-bis(decyloxy)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
Other name (1)：
  • (11R,12R)-2,6-Bis(decyloxy)-9,10-dihydro-9β,10β-ethanoanthracene-11,12-dicarboxylic acid bis(1β,1′-bi[cyclohexan]-4α-yl) ester
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