(4'S,5Ar,6S,7S,9As)-4'-Hydroxy-2,2,5A,7-Tetramethyl-5'-[(5As,6S,8As)-2,2,5A,6-Tetramethyl-3-Oxooctahydro-2H-Cyclopenta[B]Oxepin-6-Yl]Octahydro-2H,3'H-Spiro[1-Benzoxepine-6,2'-Furan]-3(4H)-One

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Properties Simple | Detailed

Formula C30H48O6
IUPAC Name (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4h-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydrobenzo[b]oxepine-6,2'-tetrahydrofuran]-3-one
Molecular Mass 504.699 g·mol−1
Heat of Formation -1389.8 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 626.39 Å 3
Surface Area 410.38 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-3-spiro[4,5,7,8,9,9a-hexahydrobenzo[f]oxepine-6,2'-tetrahydrofuran]one
  • (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydrobenzo[f]oxepine-6,2'-oxolane]-3-one
  • (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydrobenzo[f]oxepine-6,2'-tetrahydrofuran]-3-one
  • (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-2,2,5a,6-tetramethyl-3-oxo-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethylspiro[4,5,7,8,9,9a-hexahydrobenzo[f]oxepine-6,2'-oxolane]-3-one
  • (4's,5'r,5ar,6s,7s,9as)-5'-[(5as,6s,8as)-3-keto-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydrobenzo[f]oxepine-6,2'-tetrahydrofuran]-3-one
  • rel-(4'r,5's,5as,6r,7r,9ar)-4'-hydroxy-2,2,5a,7-tetramethyl-5'-[(5ar,6r,8ar)-2,2,5a,6-tetramethyl-3-oxooctahydro-2h-cyclopenta[b]oxepin-6-yl]octahydro-2h,3'h-spiro[1-benzoxepine-6,2'-furan]-3(4h)-one
  • spiro[1-benzoxepin-6(2h),2'(3'h)-furan]-3(4h)-one, octahydro-4'-hydroxy-2,2,5a,7-tetramethyl-5'-[(5as,6s,8as)-octahydro-2,2,5a,6-tetramethyl-3-oxo-2h-cyclopent[b]oxepin-6-yl]-, (5'r,5ar,6s,7s,9as)-
  • yardenone a
InChIKey TXZQYJVCWLFJOA-ZXIRBURDSA-N
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