Chem
J-GLOBAL ID:202007004235563243
Nikkaji number:J3.745.833C
(9S,10S)-9,10-ビス[1,4-ジオキソ-4-(ポタッシオオキシ)ブトキシ]オクタデカン酸デシル
(9S,10S)-9,10-ビス[1,4-ジオキソ-4-(ポタッシオオキシ)ブトキシ]オクタデカン酸デシル
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Substance type:
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
Molecular formula:
C36 H62 K2 O10
Molecular formula furigana:
C36-H62-K2-O10
Molecular weight:
733.079
InChI:
InChI=1S/C36H64O10.2K/c1-3-5-7-9-11-12-17-21-29-44-34(41)24-20-16-13-15-19-23-31(46-36(43)28-26-33(39)40)30(22-18-14-10-8-6-4-2)45-35(42)27-25-32(37)38;;/h30-31H,3-29H2,1-2H3,(H,37,38)(H,39,40);;/q;2*+1/p-2/t30-,31-;;/m0../s1
InChI key:
NYKYLLSBSFIMTP-YBZGWEFGSA-L
SMILES:
C(=O)(CCCCCCC[C@@H]([C@H](CCCCCCCC)OC(=O)CCC(=O)O[K])OC(=O)CCC(=O)O[K])OCCCCCCCCCC
Systematic name (3):
(9S,10S)-9,10-ビス[1,4-ジオキソ-4-(ポタッシオオキシ)ブトキシ]オクタデカン酸デシル
1-(9S,10S)-1-(デシルオキシ)-1-オキソ-10-{[4-オキソ-4-(ポタッシオオキシ)ブタノイル]オキシ}オクタデカン-9-イル4-カリウムブタンジオアート
1-(9S,10S)-1-(decyloxy)-1-oxo-10-{[4-oxo-4-(potassiooxy)butanoyl]oxy}octadecan-9-yl 4-potassium butanedioate
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