(3As,5Ar,6R,9Bs)-6-Hydroxy-5A,9-Dimethyl-3-Methylene-3A,4,5,5A,6,7,8,9B-Octahydronaphtho[1,2-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3as,5ar,6r,9bs)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -499.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 305.04 Å 3
Surface Area 260.33 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5ar,6r,9bs)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
  • (3as,5ar,6r,9bs)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3ah-naphtho[2,1-d]furan-2-one
  • 6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydro-3h-naphtho[1,2-b]furan-2-one
  • rel-(3ar,5as,6s,9br)-6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3h)-one
CAS Number(s)
  • 72145-13-2
InChIKey STUGAIDUQVESQE-WJNVRWDZSA-N
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