(3E)-3-{2-[(1R,4As,5R,6R,8As)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydro-1-Naphthalenyl]Ethylidene}-2(3H)-Furanone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (3e)-3-[2-[(1r,4as,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]furan-2-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -658.7 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 414.6 Å 3
Surface Area 335.3 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-[2-[(1r,4as,5r,6r,8as)-6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]ethylidene]furan-2-one
  • (3e)-3-[2-[(1r,4as,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-decalinyl]ethylidene]-2-furanone
  • (3e)-3-[2-[(1r,4as,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]furan-2-one
  • (3e)-3-[2-[(1r,4as,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethylidene]furan-2-one
  • 2(3h)-furanone, 3-[2-[(1r,4as,5r,6r,8as)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (3e)-
InChIKey YIIRVUDGRKEWBV-FZOOCBFYSA-N
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