(3R,3As,9As,9Bs)-3A,6-Dimethyl-1,2,8,9,9A,9B-Hexahydro-3'H-Spiro[Cyclopenta[A]Naphthalene-3,2'-Furan]-5',7(3Ah,4'H)-Dione

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (3r,3as,9as,9bs)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-tetrahydrofuran]-2',7-dione
Molecular Mass 286.365 g·mol−1
Heat of Formation -513.1 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 350.1 Å 3
Surface Area 292.57 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3as,9as,9bs)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[f]naphthalene-3,5'-oxolane]-2',7-dione
  • (3r,3as,9as,9bs)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[f]naphthalene-3,5'-tetrahydrofuran]-2',7-dione
  • (3r,3as,9as,9bs)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[f]naphthalene-3,5'-tetrahydrofuran]-2',7-quinone
  • 5-oxo-a-tetranor-17-alpha-pregna-9,11-diene-21-17-carbolactone
  • ro 14 9012
  • ro 14-9012
  • spiro(3h-benz(e)indene-3,2'(5'h)-furan)-5',7(3ah)-dione, 1,2,3',4',8,9,9a,9b-octahydro-3a,6-dimethyl-, (3r-(3alpha,3aalpha,9aalpha,9bbeta))-
CAS Number(s)
  • 76225-44-0
InChIKey SAZMIOXOXMTFMT-IDCJVQTKSA-N
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