(3Z)-3-{2-[(1R,3S,4Ar,8Ar)-3-Hydroxy-5,5,8A-Trimethyl-2-Methylene-6-Oxodecahydro-1-Naphthalenyl]Ethylidene}Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (3z)-3-[2-[(1r,3s,4ar,8ar)-3-hydroxy-5,5,8a-trimethyl-2-methylene-6-oxo-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -737.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 416.16 Å 3
Surface Area 336.87 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-3-[2-[(1r,3s,4ar,8ar)-3-hydroxy-5,5,8a-trimethyl-2-methylene-6-oxo-1-decalinyl]ethylidene]-2-tetrahydrofuranone
  • (3z)-3-[2-[(1r,3s,4ar,8ar)-3-hydroxy-5,5,8a-trimethyl-2-methylene-6-oxo-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
  • (3z)-3-[2-[(1r,3s,4ar,8ar)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethylidene]oxolan-2-one
  • (3z)-3-[2-[(1r,3s,4ar,8ar)-3-hydroxy-6-keto-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
InChIKey XDMURUTWTFRCDW-HQQVEHBJSA-N
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