(1R,3R,4R,4As,8As)-4-[2-(3-Furyl)Ethyl]-4-Hydroxy-3,4A,8,8-Tetramethyldecahydro-1-Naphthalenyl Acetate

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Formula C22H34O4
IUPAC Name [(1r,3r,4r,4as,8as)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-decalin-1-yl] acetate
Molecular Mass 362.503 g·mol−1
Heat of Formation -829.1 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 463.44 Å 3
Surface Area 359.63 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,3r,4r,4as,8as)-4-(2-furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1h-naphthalen-1-yl] acetate
  • [(1r,3r,4r,4as,8as)-4-(2-furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1h-naphthalen-1-yl] ethanoate
  • [(1r,3r,4r,4as,8as)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-decalin-1-yl] acetate
  • acetic acid [(1r,3r,4r,4as,8as)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-decalinyl] ester
  • acetic acid [(1r,3r,4r,4as,8as)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-decalin-1-yl] ester
InChIKey QKHCQFQIJKXMOE-UGFIEOPBSA-N
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