Chem
J-GLOBAL ID：200907000436227760   Nikkaji number：J1.025.924J

(1R,2R,3aS,8bS)-1-[(1E,3R)-3-Hydroxy-4-methyl-1-octen-6-ynyl]-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid methyl ester

(1R,2R,3aS,8bS)-1-[(1E,3R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イニル]-2-ヒドロキシ-2,3,3a,8b-テトラヒドロ-1H-シクロペンタ[b]ベンゾフラン-5-ブタン酸メチル
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： C25H32O5
Molecular formula furigana： C25-H32-O5
Molecular weight： 412.526
InChI： InChI=1S/C25H32O5/c1-4-5-8-16(2)20(26)14-13-18-21(27)15-22-24(18)19-11-6-9-17(25(19)30-22)10-7-12-23(28)29-3/h6,9,11,13-14,16,18,20-22,24,26-27H,7-8,10,12,15H2,1-3H3/b14-13+/t16?,18-,20-,21+,22-,24-/m0/s1
InChI key： KJJSQLNNCPOREA-KGTOBQFOSA-N
SMILES： COC(=O)CCCc1cccc2[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@H](O)C(C)CC#CC)Oc12
Systematic name  (3)：
  • (1R,2R,3aS,8bS)-1-[(1E,3R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イニル]-2-ヒドロキシ-2,3,3a,8b-テトラヒドロ-1H-シクロペンタ[b]ベンゾフラン-5-ブタン酸メチル
  • メチル 4-[(2S,3R,4R,6S)-4-ヒドロキシ-3-[(1E,3R)-3-ヒドロキシ-4-メチルオクタ-1-エン-6-イン-1-イル]-7-オキサトリシクロ[6.4.0.02,6]ドデカ-1(8),9,11-トリエン-9-イル]ブタノアート
  • methyl 4-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-9-yl]butanoate
Other name (1)：
  • (1R,2R,3aS,8bS)-1-[(1E,3R)-3-Hydroxy-4-methyl-1-octen-6-ynyl]-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid methyl ester
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