Chem
J-GLOBAL ID：200907077080870232
Nikkaji number：J1.656.304H
4-[2-[(1R)-2β-[(1E,3S)-3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-3α-hydroxy-5-oxocyclopentane-1α-yl]ethylthio]butyric acid methyl ester
4-[2-[(1R)-2β-[(1E,3S)-3-ヒドロキシ-4-[3-(メトキシメチル)フェニル]-1-ブテニル]-3α-ヒドロキシ-5-オキソシクロペンタン-1α-イル]エチルチオ]酪酸メチル
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： C24H34O6S
Molecular formula furigana： C24-H34-O6-S
Molecular weight： 450.590
InChI：
InChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1
InChI key：
FBQUXLIJKPWCAO-AZIFJQEOSA-N
SMILES：
COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1
Systematic name (3)：
- 4-[2-[(1R)-2β-[(1E,3S)-3-ヒドロキシ-4-[3-(メトキシメチル)フェニル]-1-ブテニル]-3α-ヒドロキシ-5-オキソシクロペンタン-1α-イル]エチルチオ]酪酸メチル
- メチル 4-({2-[(1R,2R,3R)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-4-[3-(メトキシメチル)フェニル]ブタ-1-エン-1-イル]-5-オキソシクロペンチル]エチル}スルファニル)ブタノアート
- methyl 4-({2-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-en-1-yl]-5-oxocyclopentyl]ethyl}sulfanyl)butanoate
- 4-[2-[(1R)-2β-[(1E,3S)-3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-3α-hydroxy-5-oxocyclopentane-1α-yl]ethylthio]butyric acid methyl ester
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