(1R,3R,4As,10Br)-3,7,7,10B-Tetramethyl-6-Oxo-3-Vinyl-2,3,4,4A,6,7,8,9,10,10B-Decahydro-1H-Benzo[C]Chromene-1-Carboxylic Acid

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Formula C20H28O4
IUPAC Name (1r,3r,4as,10br)-3,7,7,10b-tetramethyl-6-oxo-3-vinyl-2,4,4a,8,9,10-hexahydro-1h-benzo[c]chromene-1-carboxylic acid
Molecular Mass 332.434 g·mol−1
Heat of Formation -804.1 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 415.26 Å 3
Surface Area 324.97 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r,4as,10br)-3,7,7,10b-tetramethyl-6-oxo-3-vinyl-2,4,4a,8,9,10-hexahydro-1h-benzo[c]isochromene-1-carboxylic acid
  • (1r,3r,4as,10br)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxo-2,4,4a,8,9,10-hexahydro-1h-benzo[c]isochromene-1-carboxylic acid
  • (1r,3r,4as,10br)-6-keto-3,7,7,10b-tetramethyl-3-vinyl-2,4,4a,8,9,10-hexahydro-1h-benzo[c]isochromene-1-carboxylic acid
InChIKey NTAKAWMWMVZWTA-LHHVKLHASA-N
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