Chem
J-GLOBAL ID：201807004934567930
Nikkaji number：J3.725.091K
2,2′-Di[[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxycarbonyloxy]-1,1′-bianthracene
2,2′-ジ[[(1R,2S,5R)-2-イソプロピル-5-メチルシクロヘキシル]オキシカルボニルオキシ]-1,1′-ビアントラセン
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： C50H54O6
Molecular formula furigana： C50-H54-O6
Molecular weight： 750.976
InChI：
InChI=1S/C50H54O6/c1-29(2)39-19-15-31(5)23-45(39)55-49(51)53-43-21-17-37-25-33-11-7-9-13-35(33)27-41(37)47(43)48-42-28-36-14-10-8-12-34(36)26-38(42)18-22-44(48)54-50(52)56-46-24-32(6)16-20-40(46)30(3)4/h7-14,17-18,21-22,25-32,39-40,45-46H,15-16,19-20,23-24H2,1-6H3/t31-,32-,39+,40+,45-,46-/m1/s1
InChI key：
FTZACLHRWQSIIT-IUVLQENFSA-N
SMILES：
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Oc1ccc2cc3ccccc3cc2c1c1c(OC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc2cc3ccccc3cc12
Systematic name (3)：
- 2,2′-ジ[[(1R,2S,5R)-2-イソプロピル-5-メチルシクロヘキシル]オキシカルボニルオキシ]-1,1′-ビアントラセン
- (1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル 2'-[({[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)オキシ]-[1,1'-ビアントラセン]-2-イル カルボナート
- (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 2'-[({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]-[1,1'-bianthracen]-2-yl carbonate
- 2,2′-Di[[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxycarbonyloxy]-1,1′-bianthracene
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