Chem
J-GLOBAL ID：200907038788642544   Nikkaji number：J2.200.786F

RS-86505-008

RS-86505-008
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： C23H28O6
Molecular formula furigana： C23-H28-O6
Molecular weight： 400.471
InChI： InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,22-/m0/s1
InChI key： PTOJVMZPWPAXER-FPXSIRDUSA-N
SMILES： COC(=O)CCC=C=CC[C@H]1[C@H](/C=C/[C@H](O)COc2ccccc2)[C@@H](O)CC1=O
Systematic name  (1)：
  • (S)-7-[(1S,2S,3S)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-4-フェノキシ-1-ブテニル]-5-オキソシクロペンチル]-4,5-ヘプタジエン酸メチル
Other name (2)：
  • (S)-7-[(1S,2S,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentyl]-4,5-heptadienoic acid methyl ester
  • RS-86505-008
CAS registry number： 105368-47-6
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