Chem
J-GLOBAL ID：200907030684162213
Nikkaji number：J1.917.171J
Glutaric acid 1-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4α-(2-ethoxyethoxy)-5,7-bis(benzyloxy)chroman-3α-yl]5-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-5,7-bis(benzyloxy)chroman-3β-yl] ester
グルタル酸1-[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-4α-(2-エトキシエトキシ)-5,7-ビス(ベンジルオキシ)クロマン-3α-イル]5-[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-5,7-ビス(ベンジルオキシ)クロマン-3β-イル]
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
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
Molecular formula： C95H88O16
Molecular formula furigana： C95-H88-O16
Molecular weight： 1485.733
InChI：
InChI=1S/C95H88O16/c1-2-98-50-51-99-94-91-86(107-66-74-42-25-10-26-43-74)56-78(101-60-68-30-13-4-14-31-68)57-87(91)110-93(76-47-49-81(103-62-70-34-17-6-18-35-70)85(53-76)106-65-73-40-23-9-24-41-73)95(94)111-90(97)45-27-44-89(96)108-88-58-79-82(104-63-71-36-19-7-20-37-71)54-77(100-59-67-28-11-3-12-29-67)55-83(79)109-92(88)75-46-48-80(102-61-69-32-15-5-16-33-69)84(52-75)105-64-72-38-21-8-22-39-72/h3-26,28-43,46-49,52-57,88,92-95H,2,27,44-45,50-51,58-66H2,1H3/t88-,92+,93+,94+,95-/m0/s1
InChI key：
QSAQMRZTVXDXND-IPTHXOTOSA-N
SMILES：
CCOCCO[C@H]1[C@@H](OC(=O)CCCC(=O)O[C@H]2Cc3c(OCc4ccccc4)cc(OCc4ccccc4)cc3O[C@@H]2c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H](Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Systematic name (3)：
- グルタル酸1-[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-4α-(2-エトキシエトキシ)-5,7-ビス(ベンジルオキシ)クロマン-3α-イル]5-[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-5,7-ビス(ベンジルオキシ)クロマン-3β-イル]
- (2R,3S)-5,7-ビス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル (2R,3R,4R)-5,7-ビス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-4-(2-エトキシエトキシ)-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル ペンタンジオアート
- (2R,3S)-5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3-yl (2R,3R,4R)-5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-4-(2-ethoxyethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl pentanedioate
- Glutaric acid 1-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4α-(2-ethoxyethoxy)-5,7-bis(benzyloxy)chroman-3α-yl]5-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-5,7-bis(benzyloxy)chroman-3β-yl] ester
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