3-Ethynyl-3-Hydroxy-3A-Methyl-7-Methylenedodecahydro-2'H-Spiro[Cyclopenta[A]Naphthalene-6,1'-Cyclopentan]-2'-One

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Formula C21H28O2
IUPAC Name (3s,3as,5as,6r,9as,9bs)-3-ethynyl-3-hydroxy-3a-methyl-7-methylene-spiro[2,4,5,5a,8,9,9a,9b-octahydro-1h-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -217.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 403.27 Å 3
Surface Area 317.17 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
InChIKey NBAYWSQXNIPUON-IZTFOULLSA-N
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