7-{[(1R,4As,6R,8Ar)-6-Hydroxy-2,5,5,8A-Tetramethyl-1,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]Methoxy}-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C24H30O4
IUPAC Name 7-[[(1r,4as,6r,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one
Molecular Mass 382.493 g·mol−1
Heat of Formation -642.7 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 466.95 Å 3
Surface Area 386.02 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[[(1r,4as,6r,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-2-chromenone
  • 7-[[(1r,4as,6r,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one
  • 7-[[(1r,4as,6r,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]coumarin
CAS Number(s)
  • 51020-36-1
InChIKey MCTDXPDDZLFJHR-XLRKYUMYSA-N
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