(3As,6S,7R,8S,8Ar)-8-Hydroxy-6,8-Dimethyl-3-Methylenehexahydro-3'H-Spiro[Cyclohepta[B]Furan-7,2'-Furan]-2,5'(3H,4'H)-Dione

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Properties Simple | Detailed

Formula C15H20O5
IUPAC Name (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylene-spiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[b]furan-7,5'-tetrahydrofuran]-2,2'-dione
Molecular Mass 280.316 g·mol−1
Heat of Formation -908.7 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 328.22 Å 3
Surface Area 265.46 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylene-spiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[d]furan-7,5'-tetrahydrofuran]-2,2'-dione
  • (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylene-spiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[d]furan-7,5'-tetrahydrofuran]-2,2'-quinone
  • (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylenespiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[d]furan-7,5'-tetrahydrofuran]-2,2'-dione
  • (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylidene-spiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[d]furan-7,5'-oxolane]-2,2'-dione
  • (3as,6s,7r,8s,8ar)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3ah-cyclohepta[d]furan-7,5'-oxolane]-2,2'-dione
  • psilostachyin
InChIKey IRPFOXRBPHCCTG-JISBIHODSA-N
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