Chem
J-GLOBAL ID：200907010776530625
Nikkaji number：J1.467.017C
ZPS-123
ノナン二酸1-[2,2-ビス(ヒドロキシメチル)-3-(ステアロイルオキシ)プロピル]9-[3-ヒドロキシ-2,2-ビス[(ステアロイルオキシ)メチル]プロピル]
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： C73H138O13
Molecular formula furigana： C73-H138-O13
Molecular weight： 1223.894
InChI：
InChI=1S/C73H138O13/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-49-54-67(77)82-62-72(59-74,60-75)63-83-68(78)55-52-47-43-48-53-58-71(81)86-66-73(61-76,64-84-69(79)56-50-45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)65-85-70(80)57-51-46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h74-76H,4-66H2,1-3H3
InChI key：
NXXVQNFYTWXXTM-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Systematic name (3)：
- ノナン二酸1-[2,2-ビス(ヒドロキシメチル)-3-(ステアロイルオキシ)プロピル]9-[3-ヒドロキシ-2,2-ビス[(ステアロイルオキシ)メチル]プロピル]
- 1-{3-ヒドロキシ-2,2-ビス[(オクタデカノイルオキシ)メチル]プロピル} 9-[3-ヒドロキシ-2-(ヒドロキシメチル)-2-[(オクタデカノイルオキシ)メチル]プロピル] ノナンジオアート
- 1-{3-hydroxy-2,2-bis[(octadecanoyloxy)methyl]propyl} 9-[3-hydroxy-2-(hydroxymethyl)-2-[(octadecanoyloxy)methyl]propyl] nonanedioate
- Nonanedioic acid 1-[2,2-bis(hydroxymethyl)-3-(stearoyloxy)propyl]9-[3-hydroxy-2,2-bis[(stearoyloxy)methyl]propyl] ester
- ZPS-123
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