Chem
J-GLOBAL ID：201807020269989662
Nikkaji number：J3.729.089K
(Z)-7-[(1S,4S)-1-[(1E,3S)-3-ヒドロキシ-4-(4-ヨードフェノキシ)-1-ブテニル]-7-オキサビシクロ[2.2.1]ヘプタン-2α-イル]-5-ヘプテン酸
(Z)-7-[(1S,4S)-1-[(1E,3S)-3-ヒドロキシ-4-(4-ヨードフェノキシ)-1-ブテニル]-7-オキサビシクロ[2.2.1]ヘプタン-2α-イル]-5-ヘプテン酸
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
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
Molecular formula： C23H29IO5
Molecular formula furigana： C23-H29-I-O5
Molecular weight： 512.384
InChI：
InChI=1S/C23H29IO5/c24-18-7-9-20(10-8-18)28-16-19(25)11-13-23-14-12-21(29-23)15-17(23)5-3-1-2-4-6-22(26)27/h1,3,7-11,13,17,19,21,25H,2,4-6,12,14-16H2,(H,26,27)/b3-1-,13-11+/t17-,19+,21+,23+/m1/s1
InChI key：
KGZWOXKJSQYBFZ-CFLFKEGXSA-N
SMILES：
C(=O)(CCC/C=C\C[C@H]1[C@]2(O[C@H](C1)CC2)/C=C/[C@@H](COc1ccc(cc1)I)O)O
Systematic name (3)：
- (Z)-7-[(1S,4S)-1-[(1E,3S)-3-ヒドロキシ-4-(4-ヨードフェノキシ)-1-ブテニル]-7-オキサビシクロ[2.2.1]ヘプタン-2α-イル]-5-ヘプテン酸
- (5Z)-7-[(1S,2R,4S)-1-[(1E,3S)-3-ヒドロキシ-4-(4-ヨードフェノキシ)ブタ-1-エン-1-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]ヘプタ-5-エン酸
- (5Z)-7-[(1S,2R,4S)-1-[(1E,3S)-3-hydroxy-4-(4-iodophenoxy)but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
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