Chem
J-GLOBAL ID:200907057575123807
Nikkaji number:J2.706.580E
(2R,3S)-2-Hydroxy-2-methyl-3-(octanoyloxy)butanoic acid (1S,2R)-1-methyl-2-hydroxy-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester
(2R,3S)-2-ヒドロキシ-2-メチル-3-(オクタノイルオキシ)ブタン酸(1S,2R)-1-メチル-2-ヒドロキシ-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)エチル
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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:
C24 H36 O9
Molecular formula furigana:
C24-H36-O9
Molecular weight:
468.543
InChI:
InChI=1S/C24H36O9/c1-6-7-8-9-10-11-20(25)33-16(3)24(4,28)23(27)32-15(2)21(26)17-12-18(29-5)22-19(13-17)30-14-31-22/h12-13,15-16,21,26,28H,6-11,14H2,1-5H3/t15-,16-,21-,24+/m0/s1
InChI key:
BKWCEMCTSGFTJA-RNFQGHHASA-N
SMILES:
CCCCCCCC(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@@H](C)[C@H](O)c1cc2OCOc2c(OC)c1
Systematic name (3):
(2R,3S)-2-ヒドロキシ-2-メチル-3-(オクタノイルオキシ)ブタン酸(1S,2R)-1-メチル-2-ヒドロキシ-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)エチル
(2S,3R)-3-ヒドロキシ-4-{[(1R,2S)-1-ヒドロキシ-1-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)プロパン-2-イル]オキシ}-3-メチル-4-オキソブタン-2-イル オクタノアート
(2S,3R)-3-hydroxy-4-{[(1R,2S)-1-hydroxy-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)propan-2-yl]oxy}-3-methyl-4-oxobutan-2-yl octanoate
Other name (1):
(2R,3S)-2-Hydroxy-2-methyl-3-(octanoyloxy)butanoic acid (1S,2R)-1-methyl-2-hydroxy-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester
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