Chem
J-GLOBAL ID:200907065211386830
Nikkaji number:J2.200.781E
RS-41044-004
RS-41044-004
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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:
C23 H28 O6
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-NXFCMVKKSA-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 (3):
7-[(1R,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
メチル 7-[(1R,2S,3S)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-4-フェノキシブタ-1-エン-1-イル]-5-オキソシクロペンチル]ヘプタ-4,5-ジエノアート
methyl 7-[(1R,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxybut-1-en-1-yl]-5-oxocyclopentyl]hepta-4,5-dienoate
Other name (2):
7-[(1R,2S,3S)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentyl]-4,5-heptadienoic acid methyl ester
RS-41044-004
CAS registry number:
125638-68-8
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