Chem
J-GLOBAL ID:201307082403780331
Nikkaji number:J3.150.685I
(2S,3S)-2-[2β,6β-Bis(4-fluorophenyl)-5-methyl-6H-1,3-dioxin-4-yl]-3-hydroxy-3-(4-fluorophenyl)propanoic acid
(2S,3S)-2-[2β,6β-ビス(4-フルオロフェニル)-5-メチル-6H-1,3-ジオキシン-4-イル]-3-ヒドロキシ-3-(4-フルオロフェニル)プロパン酸
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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:
C26 H21 F3 O5
Molecular formula furigana:
C26-H21-F3-O5
Molecular weight:
470.444
InChI:
InChI=1S/C26H21F3O5/c1-14-23(16-4-10-19(28)11-5-16)33-26(17-6-12-20(29)13-7-17)34-24(14)21(25(31)32)22(30)15-2-8-18(27)9-3-15/h2-13,21-23,26,30H,1H3,(H,31,32)/t21-,22+,23-,26+/m0/s1
InChI key:
WSVTVQYFIWBEDJ-DUOVIKOCSA-N
SMILES:
CC1=C(O[C@@H](O[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1)[C@H]([C@H](O)c1ccc(F)cc1)C(=O)O
Systematic name (3):
(2S,3S)-2-[2β,6β-ビス(4-フルオロフェニル)-5-メチル-6H-1,3-ジオキシン-4-イル]-3-ヒドロキシ-3-(4-フルオロフェニル)プロパン酸
(2S,3S)-2-[(2R,6R)-2,6-ビス(4-フルオロフェニル)-5-メチル-2,6-ジヒドロ-1,3-ジオキシン-4-イル]-3-(4-フルオロフェニル)-3-ヒドロキシプロパン酸
(2S,3S)-2-[(2R,6R)-2,6-bis(4-fluorophenyl)-5-methyl-2,6-dihydro-1,3-dioxin-4-yl]-3-(4-fluorophenyl)-3-hydroxypropanoic acid
Other name (1):
(2S,3S)-2-[2β,6β-Bis(4-fluorophenyl)-5-methyl-6H-1,3-dioxin-4-yl]-3-hydroxy-3-(4-fluorophenyl)propanoic acid
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