(11As)-10-Hydroxy-8-Isopropyl-4,4,11A-Trimethyl-3,4,11,11A-Tetrahydrobenzo[5,6]Cyclohepta[1,2-B]Pyran-2,9-Dione

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Properties Simple | Detailed

Formula C20H24O4
IUPAC Name (11as)-10-hydroxy-8-isopropyl-4,4,11a-trimethyl-3,11-dihydrobenzo[3,4]cyclohepta[3,5-b]pyran-2,9-dione
Molecular Mass 328.402 g·mol−1
Heat of Formation -613.4 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 401.54 Å 3
Surface Area 332.69 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • benzo(5,6)cyclohepta(1,2-b)pyran-2,9-dione, 3,4,11,11a-tetrahydro-10-hydroxy-4,4,11a-trimethyl-8-(1-methylethyl)-, (s)-
  • bharangin
CAS Number(s)
  • 72711-84-3
InChIKey HMJSIJZITOCLAD-FQEVSTJZSA-N
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