Chem
J-GLOBAL ID:200907024599472947   Nikkaji number:J1.579.015F

2-[3-[[(1R)-2β-[(1E,3S)-3-Hydroxy-4-(4-methoxyphenyl)-1-butenyl]-3α-hydroxy-5-oxocyclopentane-1α-yl]thio]propylthio]acetic acid

2-[3-[[(1R)-2β-[(1E,3S)-3-ヒドロキシ-4-(4-メトキシフェニル)-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]チオ]プロピルチオ]酢酸
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: C21H28O6S2
Molecular formula furigana: C21-H28-O6-S2
Molecular weight: 440.570
InChI: InChI=1S/C21H28O6S2/c1-27-16-6-3-14(4-7-16)11-15(22)5-8-17-18(23)12-19(24)21(17)29-10-2-9-28-13-20(25)26/h3-8,15,17-18,21-23H,2,9-13H2,1H3,(H,25,26)/b8-5+/t15-,17+,18-,21-/m1/s1
InChI key: AZYKMZOJGGSIIB-DXWQYRMGSA-N
SMILES: COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1
Systematic name  (3):
  • 2-[3-[[(1R)-2β-[(1E,3S)-3-ヒドロキシ-4-(4-メトキシフェニル)-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]チオ]プロピルチオ]酢酸
  • 2-[(3-{[(1R,2S,3R)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-4-(4-メトキシフェニル)ブタ-1-エン-1-イル]-5-オキソシクロペンチル]スルファニル}プロピル)スルファニル]酢酸
  • 2-[(3-{[(1R,2S,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-(4-methoxyphenyl)but-1-en-1-yl]-5-oxocyclopentyl]sulfanyl}propyl)sulfanyl]acetic acid
Other name (1):
  • 2-[3-[[(1R)-2β-[(1E,3S)-3-Hydroxy-4-(4-methoxyphenyl)-1-butenyl]-3α-hydroxy-5-oxocyclopentane-1α-yl]thio]propylthio]acetic acid
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