7-{[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylenedecahydro-1-Naphthalenyl]Methyl}-1,3-Benzoxazole-5,6-Diyl Diacetate

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Properties Simple | Detailed

Formula C26H33NO5
IUPAC Name [7-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-6-acetoxy-1,3-benzoxazol-5-yl] acetate
Molecular Mass 439.544 g·mol−1
Heat of Formation -784.2 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 536.04 Å 3
Surface Area 388.33 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey LBTUMRYFDFRELU-NDHSLDTFSA-N
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