Chem
J-GLOBAL ID:200907026615071012   Nikkaji number:J486.569C

6-[2β-[1,1-Dimethyl-3-(3-pyridyl)propyl]-6β-(2-hydroxyphenyl)-1,3-dioxan-5β-yl]-4-hexenoic acid

6-[2β-[1,1-ジメチル-3-(3-ピリジル)プロピル]-6β-(2-ヒドロキシフェニル)-1,3-ジオキサン-5β-イル]-4-ヘキセン酸
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: C26H33NO5
Molecular formula furigana: C26-H33-N-O5
Molecular weight: 439.552
InChI: InChI=1S/C26H33NO5/c1-26(2,15-14-19-9-8-16-27-17-19)25-31-18-20(10-4-3-5-13-23(29)30)24(32-25)21-11-6-7-12-22(21)28/h3-4,6-9,11-12,16-17,20,24-25,28H,5,10,13-15,18H2,1-2H3,(H,29,30)/t20-,24+,25+/m1/s1
InChI key: PJDRBUWIHFEGSI-YNJKOYDBSA-N
SMILES: CC(C)(CCc1cccnc1)[C@H]1OC[C@@H](CC=CCCC(=O)O)[C@H](O1)c1ccccc1O
Systematic name  (3):
  • 6-[2β-[1,1-ジメチル-3-(3-ピリジル)プロピル]-6β-(2-ヒドロキシフェニル)-1,3-ジオキサン-5β-イル]-4-ヘキセン酸
  • 6-[(2S,4S,5R)-4-(2-ヒドロキシフェニル)-2-[2-メチル-4-(ピリジン-3-イル)ブタン-2-イル]-1,3-ジオキサン-5-イル]ヘキサ-4-エン酸
  • 6-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-[2-methyl-4-(pyridin-3-yl)butan-2-yl]-1,3-dioxan-5-yl]hex-4-enoic acid
Other name (1):
  • 6-[2β-[1,1-Dimethyl-3-(3-pyridyl)propyl]-6β-(2-hydroxyphenyl)-1,3-dioxan-5β-yl]-4-hexenoic acid
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