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

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Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one
Molecular Mass 350.449 g·mol−1
Heat of Formation -924.9 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 432.12 Å 3
Surface Area 343.14 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one
  • (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-decalinyl]ethylidene]-4-hydroxy-2-tetrahydrofuranone
  • (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one
  • (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethylidene]-4-hydroxy-oxolan-2-one
  • (3e,4r)-3-[2-[(1r,4as,5r,6s,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
InChIKey BOJKULTULYSRAS-XGMRZYOMSA-N
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