(5As,6S,8As)-6-[(3R,4'S,5'R,5Ar,6S,7S,9As)-3,4'-Dihydroxy-2,2,5A,7-Tetramethyldecahydro-2H,3'H-Spiro[1-Benzoxepine-6,2'-Furan]-5'-Yl]-2,2,5A,6-Tetramethylhexahydro-2H-Cyclopenta[B]Oxepin-3(4H)-One

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Properties Simple | Detailed

Formula C30H50O6
IUPAC Name (5as,6s,8as)-6-[(2'r,3r,3's,5ar,6s,7s,9as)-3,3'-dihydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydro-3h-benzo[b]oxepine-6,5'-tetrahydrofuran]-2'-yl]-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[b]oxepin-3-one
Molecular Mass 506.714 g·mol−1
Heat of Formation -1435.3 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 633.93 Å 3
Surface Area 417.81 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,6s,8as)-6-[(2'r,3r,3's,5ar,6s,7s,9as)-3,3'-dihydroxy-2,2,5a,7-tetramethyl-2'-spiro[4,5,7,8,9,9a-hexahydro-3h-benzo[f]oxepine-6,5'-tetrahydrofuran]yl]-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-3-one
  • (5as,6s,8as)-6-[(2'r,3r,3's,5ar,6s,7s,9as)-3,3'-dihydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydro-3h-benzo[f]oxepine-6,5'-oxolane]-2'-yl]-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-3-one
  • (5as,6s,8as)-6-[(2'r,3r,3's,5ar,6s,7s,9as)-3,3'-dihydroxy-2,2,5a,7-tetramethyl-spiro[4,5,7,8,9,9a-hexahydro-3h-benzo[f]oxepine-6,5'-tetrahydrofuran]-2'-yl]-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-3-one
  • (5as,6s,8as)-6-[(2'r,3r,3's,5ar,6s,7s,9as)-3,3'-dihydroxy-2,2,5a,7-tetramethylspiro[4,5,7,8,9,9a-hexahydro-3h-benzo[f]oxepine-6,5'-oxolane]-2'-yl]-2,2,5a,6-tetramethyl-5,7,8,8a-tetrahydro-4h-cyclopenta[f]oxepin-3-one
InChIKey JFTRZCAXXYMBGB-OVSCOPMZSA-N
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