Chem
J-GLOBAL ID：200907086261842639   Nikkaji number：J1.642.190A

(5Z,7S)-7-[(1R)-2α-Hydroxy-2-[(Z)-2-octenyl]-4-bromo-5-oxo-3-cyclopentene-1α-yl]-7-acetoxy-5-heptenoic acid methyl ester

(5Z,7S)-7-[(1R)-2α-ヒドロキシ-2-[(Z)-2-オクテニル]-4-ブロモ-5-オキソ-3-シクロペンテン-1α-イル]-7-アセトキシ-5-ヘプテン酸メチル
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： C23H33BrO6
Molecular formula furigana： C23-H33-BR-O6
Molecular weight： 485.415
InChI： InChI=1S/C23H33BrO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10-/t19-,21-,23+/m0/s1
InChI key： KJIAAYSMTGAUFU-WAALSUGPSA-N
SMILES： CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)[C@@H]1[C@@H](OC(=O)C)/C=C\CCCC(=O)OC
Systematic name  (3)：
  • (5Z,7S)-7-[(1R)-2α-ヒドロキシ-2-[(Z)-2-オクテニル]-4-ブロモ-5-オキソ-3-シクロペンテン-1α-イル]-7-アセトキシ-5-ヘプテン酸メチル
  • メチル (5Z,7S)-7-(アセチルオキシ)-7-[(1R,2S)-4-ブロモ-2-ヒドロキシ-2-[(2Z)-オクタ-2-エン-1-イル]-5-オキソシクロペンタ-3-エン-1-イル]ヘプタ-5-エノアート
  • methyl (5Z,7S)-7-(acetyloxy)-7-[(1R,2S)-4-bromo-2-hydroxy-2-[(2Z)-oct-2-en-1-yl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
Other name (1)：
  • (5Z,7S)-7-[(1R)-2α-Hydroxy-2-[(Z)-2-octenyl]-4-bromo-5-oxo-3-cyclopentene-1α-yl]-7-acetoxy-5-heptenoic acid methyl ester
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