Chem
J-GLOBAL ID：200907068829620484   Nikkaji number：J759.148I

Secotanapartholide B

セコタナパルトリドB
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： C15H18O5
Molecular formula furigana： C15-H18-O5
Molecular weight： 278.304
InChI： InChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(18)20-13(10)12-11(17)6-7-15(12,3)19/h6-7,10,12-13,19H,2,4-5H2,1,3H3/t10-,12-,13-,15-/m0/s1
InChI key： RTOGTHJTQOMSQZ-NHULGOKLSA-N
SMILES： CC(=O)CC[C@@H]1[C@H](OC(=O)C1=C)[C@@H]1C(=O)C=C[C@]1(C)O
Systematic name  (5)：
  • (4S,5S)-3-メチレン-4-(3-オキソブチル)-5-[(1S,5S)-2-オキソ-5-ヒドロキシ-5-メチル-3-シクロペンテニル]-4,5-ジヒドロ-2(3H)-フラノン
  • (4S)-3-メチレン-4-(3-オキソブチル)-5β-[(1S)-2-メチル-2β-ヒドロキシ-5-オキソ-3-シクロペンテン-1-イル]-4,5-ジヒドロフラン-2(3H)-オン
  • (4S,5S)-4,5-ジヒドロ-5-[(1S,2S)-2-ヒドロキシ-2-メチル-5-オキソ-3-シクロペンテニル]-3-メチレン-4-(3-オキソブチル)-2(3H)-フラノン
  • (4S,5S)-5-[(1S,2S)-2-ヒドロキシ-2-メチル-5-オキソシクロペンタ-3-エン-1-イル]-3-メチリデン-4-(3-オキソブチル)オキソラン-2-オン
  • (4S,5S)-5-[(1S,2S)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
Other name (5)：
  • セコタナパルトリドB
  • Secotanapartholide B
  • (4S,5S)-3-Methylene-4-(3-oxobutyl)-5-[(1S,5S)-2-oxo-5-hydroxy-5-methyl-3-cyclopentenyl]-4,5-dihydro-2(3H)-furanone
  • (4S)-3-Methylene-4-(3-oxobutyl)-5β-[(1S)-2-methyl-2β-hydroxy-5-oxo-3-cyclopentene-1-yl]-4,5-dihydrofuran-2(3H)-one
  • (4S,5S)-4,5-Dihydro-5-[(1S,2S)-2-hydroxy-2-methyl-5-oxo-3-cyclopentenyl]-3-methylene-4-(3-oxobutyl)-2(3H)-furanone
CAS registry number： 103063-09-8
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