Chem
J-GLOBAL ID：200907003574689472   Nikkaji number：J654.948I

GR-63799X

GR-63799X
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： C34H37NO8
Molecular formula furigana： C34-H37-N-O8
Molecular weight： 587.669
InChI： InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1-8,11-14,17-20,26,29,31,33,36,38H,9-10,15-16,21-23H2,(H,35,40)/b2-1-/t26-,29-,31+,33+/m0/s1
InChI key： QQTQLHVRUZWVQZ-FCGOQBLSSA-N
SMILES： O[C@H](CO[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1
Systematic name  (3)：
  • (Z)-7-[(1R)-2β-[(R)-3-フェノキシ-2-ヒドロキシプロポキシ]-3α-ヒドロキシ-5-オキソシクロペンタン-1α-イル]-4-ヘプテン酸4-(ベンゾイルアミノ)フェニル
  • 4-ベンズアミドフェニル (4Z)-7-[(1R,2R,3R)-3-ヒドロキシ-2-[(2R)-2-ヒドロキシ-3-フェノキシプロポキシ]-5-オキソシクロペンチル]ヘプタ-4-エノアート
  • 4-benzamidophenyl (4Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(2R)-2-hydroxy-3-phenoxypropoxy]-5-oxocyclopentyl]hept-4-enoate
Other name (2)：
  • GR-63799X
  • (Z)-7-[(1R)-2β-[(R)-3-Phenoxy-2-hydroxypropoxy]-3α-hydroxy-5-oxocyclopentan-1α-yl]-4-heptenoic acid 4-(benzoylamino)phenyl ester
CAS registry number： 106342-69-2
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