Chem
J-GLOBAL ID：200907011962274929   Nikkaji number：J39.224C

Pentalenolactone F

ペンタレノラクトンF
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/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1
InChI key： UUDKOVSZNMZKND-BDAURDKOSA-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,7′,8′,9′-ヘキサヒドロ-8′,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'S,8'R)-3',3'-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]-6'-エン-7'-カルボン酸
  • (1'R,2R,5'S,8'R)-3',3'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.01,5]dodecan]-6'-ene-7'-carboxylic acid
Other name (3)：
  • ペンタレノラクトンF
  • Pentalenolactone F
  • (2R,9′aR)-4′,4′aα,6′aβ,7′,8′,9′-Hexahydro-8′,8′-dimethyl-2′-oxospiro[oxirane-2,1′(2′H)-pentaleno[1,6a-c]pyran]-5′-carboxylic acid
CAS registry number： 85416-36-0
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