Chem
J-GLOBAL ID：200907052786814049
Nikkaji number：J1.917.163I
Glutaric acid 1-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4β-(2-ethoxyethoxy)-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]-4β-(2-エトキシエトキシ)-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： C52H52O11
Molecular formula furigana： C52-H52-O11
Molecular weight： 852.977
InChI：
InChI=1S/C52H52O11/c1-2-56-28-29-57-51-49-45(61-36-40-22-13-6-14-23-40)31-42(58-33-37-16-7-3-8-17-37)32-46(49)62-50(52(51)63-48(55)25-15-24-47(53)54)41-26-27-43(59-34-38-18-9-4-10-19-38)44(30-41)60-35-39-20-11-5-12-21-39/h3-14,16-23,26-27,30-32,50-52H,2,15,24-25,28-29,33-36H2,1H3,(H,53,54)/t50-,51+,52-/m1/s1
InChI key：
PHHLVPXONCKHAY-KCFQPAEMSA-N
SMILES：
CCOCCO[C@@H]1[C@H](OC(=O)CCCC(=O)O)[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]-4β-(2-エトキシエトキシ)-5,7-ビス(ベンジルオキシ)クロマン-3β-イル]
- 5-{[(2R,3S,4S)-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]オキシ}-5-オキソペンタン酸
- 5-{[(2R,3S,4S)-5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-4-(2-ethoxyethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-5-oxopentanoic acid
- Glutaric acid 1-[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4β-(2-ethoxyethoxy)-5,7-bis(benzyloxy)chroman-3β-yl] ester
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