Chem
J-GLOBAL ID：200907045615752502
Nikkaji number：J1.090.779I
Cyclohexane-1α,3α,5α-tricarboxylic acid 1-[2-[4-[[4-[[(1-phenylethyl)amino]carbonyl]phenoxy]carbonyl]phenoxy]ethyl]3,5-bis[2-[4-[(4′-methoxybiphenyl-4-yl)oxycarbonyl]phenoxy]ethyl] ester
シクロヘキサン-1α,3α,5α-トリカルボン酸1-[2-[4-[[4-[[(1-フェニルエチル)アミノ]カルボニル]フェノキシ]カルボニル]フェノキシ]エチル]3,5-ビス[2-[4-[(4′-メトキシビフェニル-4-イル)オキシカルボニル]フェノキシ]エチル]
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： C77H69NO18
Molecular formula furigana： C77-H69-N-O18
Molecular weight： 1296.388
InChI：
InChI=1S/C77H69NO18/c1-50(51-7-5-4-6-8-51)78-71(79)56-17-39-70(40-18-56)96-77(85)59-23-33-67(34-24-59)90-43-46-93-74(82)62-48-60(72(80)91-44-41-88-65-29-19-57(20-30-65)75(83)94-68-35-13-54(14-36-68)52-9-25-63(86-2)26-10-52)47-61(49-62)73(81)92-45-42-89-66-31-21-58(22-32-66)76(84)95-69-37-15-55(16-38-69)53-11-27-64(87-3)28-12-53/h4-40,50,60-62H,41-49H2,1-3H3,(H,78,79)
InChI key：
YKUMMTOFFGLPRS-UHFFFAOYSA-N
SMILES：
COc1ccc(cc1)c1ccc(OC(=O)c2ccc(OCCOC(=O)C3C[C@H](CC(C3)C(=O)OCCOc3ccc(cc3)C(=O)Oc3ccc(cc3)c3ccc(OC)cc3)C(=O)OCCOc3ccc(cc3)C(=O)Oc3ccc(cc3)C(=O)NC(C)c3ccccc3)cc2)cc1
Systematic name (1)：
- シクロヘキサン-1α,3α,5α-トリカルボン酸1-[2-[4-[[4-[[(1-フェニルエチル)アミノ]カルボニル]フェノキシ]カルボニル]フェノキシ]エチル]3,5-ビス[2-[4-[(4′-メトキシビフェニル-4-イル)オキシカルボニル]フェノキシ]エチル]
- Cyclohexane-1α,3α,5α-tricarboxylic acid 1-[2-[4-[[4-[[(1-phenylethyl)amino]carbonyl]phenoxy]carbonyl]phenoxy]ethyl]3,5-bis[2-[4-[(4′-methoxybiphenyl-4-yl)oxycarbonyl]phenoxy]ethyl] ester
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