Chem
J-GLOBAL ID：200907001976620638   Nikkaji number：J1.996.410H

2,2′-(6,7-Dihydro-5H-dibenzo[a,c]cycloheptene-6,6-diyl)bis[(4S)-α,α-diphenyl-2-oxazoline-4α-methanol]

2,2′-(6,7-ジヒドロ-5H-ジベンゾ[a,c]シクロヘプテン-6,6-ジイル)ビス[(4S)-α,α-ジフェニル-2-オキサゾリン-4α-メタノール]
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： C47H40N2O4
Molecular formula furigana： C47-H40-N2-O4
Molecular weight： 696.847
InChI： InChI=1S/C47H40N2O4/c50-46(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-52-43(48-41)45(29-33-17-13-15-27-39(33)40-28-16-14-18-34(40)30-45)44-49-42(32-53-44)47(51,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-28,41-42,50-51H,29-32H2/t41-,42-/m0/s1
InChI key： VKFIEVQCEQZQDU-COCZKOEFSA-N
SMILES： OC([C@@H]1COC(=N1)C1(Cc2ccccc2c2ccccc2C1)C1=N[C@@H](CO1)C(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2,2′-(6,7-ジヒドロ-5H-ジベンゾ[a,c]シクロヘプテン-6,6-ジイル)ビス[(4S)-α,α-ジフェニル-2-オキサゾリン-4α-メタノール]
  • [(4S)-2-{9-[(4S)-4-(ヒドロキシジフェニルメチル)-4,5-ジヒドロ-1,3-オキサゾール-2-イル]トリシクロ[9.4.0.02,7]ペンタデカ-1(15),2,4,6,11,13-ヘキサエン-9-イル}-4,5-ジヒドロ-1,3-オキサゾール-4-イル]ジフェニルメタノール
  • [(4S)-2-{9-[(4S)-4-(hydroxydiphenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-yl}-4,5-dihydro-1,3-oxazol-4-yl]diphenylmethanol
Other name (1)：
  • 2,2′-(6,7-Dihydro-5H-dibenzo[a,c]cycloheptene-6,6-diyl)bis[(4S)-α,α-diphenyl-2-oxazoline-4α-methanol]
Thsaurus map：
Thesaurus Map

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