Chem
J-GLOBAL ID：200907020551966080   Nikkaji number：J1.066.920K

(-)-Spongianolide A

(-)-スポンギアノリドA
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： C27H40O6
Molecular formula furigana： C27-H40-O6
Molecular weight： 460.611
InChI： InChI=1S/C27H40O6/c1-17(28)32-16-27(31)14-10-20-25(4)12-6-11-24(2,3)19(25)9-13-26(20,5)21(27)8-7-18-15-22(29)33-23(18)30/h7-8,15,19-21,23,30-31H,6,9-14,16H2,1-5H3/b8-7+/t19-,20+,21-,23?,25-,26+,27+/m0/s1
InChI key： BPTQNEYHUCKNPL-MBSBVOQSSA-N
SMILES： CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CC(=O)OC1O
Systematic name  (3)：
  • (1S,4aβ,8aβ)-1α-[(E)-2-(2-ヒドロキシ-5-オキソ-2,5-ジヒドロフラン-3-イル)エテニル]-2-(アセトキシメチル)-4bα,8,8,10aα-テトラメチルテトラデカヒドロフェナントレン-2β-オール
  • [(1S,2S,4aR,4bS,8aS,10aR)-2-ヒドロキシ-1-[(1E)-2-(2-ヒドロキシ-5-オキソ-2,5-ジヒドロフラン-3-イル)エテニル]-4b,8,8,10a-テトラメチル-テトラデカヒドロフェナントレン-2-イル]メチル アセタート
  • [(1S,2S,4aR,4bS,8aS,10aR)-2-hydroxy-1-[(1E)-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-2-yl]methyl acetate
Other name (3)：
  • (1S,4aβ,8aβ)-1α-[(E)-2-(2-Hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethenyl]-2-(acetoxymethyl)-4bα,8,8,10aα-tetramethyltetradecahydrophenanthrene-2β-ol
  • (-)-スポンギアノリドA
  • (-)-Spongianolide A
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