Chem
J-GLOBAL ID：201607005550737881
Nikkaji number：J3.480.287D
2,2′-[[(1R,2R)-1,2-Bis(4-tert-butylphenyl)ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
2,2′-[[(1R,2R)-1,2-ビス(4-tert-ブチルフェニル)エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
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： C32H52N2O2
Molecular formula furigana： C32-H52-N2-O2
Molecular weight： 496.780
InChI：
InChI=1S/C32H52N2O2/c1-21(2)27(19-35)33-29(23-11-15-25(16-12-23)31(5,6)7)30(34-28(20-36)22(3)4)24-13-17-26(18-14-24)32(8,9)10/h11-18,21-22,27-30,33-36H,19-20H2,1-10H3/t27-,28-,29-,30-/m1/s1
InChI key：
STOADUSIXBSCNI-SKKKGAJSSA-N
SMILES：
CC(C)[C@@H](CO)N[C@@H]([C@H](N[C@H](CO)C(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
Systematic name (3)：
- 2,2′-[[(1R,2R)-1,2-ビス(4-tert-ブチルフェニル)エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
- (2S)-2-{[(1R,2R)-1,2-ビス(4-tert-ブチルフェニル)-2-{[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}エチル]アミノ}-3-メチルブタン-1-オール
- (2S)-2-{[(1R,2R)-1,2-bis(4-tert-butylphenyl)-2-{[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}ethyl]amino}-3-methylbutan-1-ol
- 2,2′-[[(1R,2R)-1,2-Bis(4-tert-butylphenyl)ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
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