Chem
J-GLOBAL ID：200907002237742624   Nikkaji number：J455.669K

Pentalenolactone A

ペンタレノラクトン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： C15H16O5
Molecular formula furigana： C15-H16-O5
Molecular weight： 276.288
InChI： InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3,10-11H,4-6H2,1-2H3,(H,16,17)/t10-,11+,14-,15-/m1/s1
InChI key： UUZXSMQFMLHTPW-BAESOJJISA-N
SMILES： CC1=C(C)[C@H]2C=C([C@@H]3COC(=O)[C@]4(CO4)[C@]23C1)C(=O)O
Systematic name  (3)：
  • (2R,9′aR)-4′,4′aα,6′aβ,9′-テトラヒドロ-7′,8′-ジメチル-2′-オキソスピロ[オキシラン-2,1′(2′H)-ペンタレノ[1,6a-c]ピラン]-5′-カルボン酸
  • (1'R,2R,5'R,8'R)-3',4'-ジメチル-11'-オキソ-10'-オキサスピロ[オキシラン-2,12'-トリシクロ[6.4.0.01,5]ドデカン]-3',6'-ジエン-7'-カルボン酸
  • (1'R,2R,5'R,8'R)-3',4'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.01,5]dodecane]-3',6'-diene-7'-carboxylic acid
Other name (3)：
  • ペンタレノラクトンA
  • Pentalenolactone A
  • (2R,9′aR)-4′,4′aα,6′aβ,9′-Tetrahydro-7′,8′-dimethyl-2′-oxospiro[oxirane-2,1′(2′H)-pentaleno[1,6a-c]pyran]-5′-carboxylic acid
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