Puupehenone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O3
IUPAC Name (4as,6as,12ar,12bs)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1h-benzo[a]xanthen-9-one
Molecular Mass 328.445 g·mol−1
Heat of Formation -509.0 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 408.25 Å 3
Surface Area 324.54 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,12ar,12bs)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1h-naphtho[7,8-b]chromen-9-one
  • 9h-benzo(a)xanthen-9-one, 1,2,3,4,4a,5,6,6a,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (4aalpha,6aalpha,12aalpha,12bbeta)-(+)-
  • 9h-benzo[a]xanthen-9-one, 1,2,3,4,4a,5,6,6a,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (4as,6as,12ar,12bs)-
CAS Number(s)
  • 73573-17-8
InChIKey LOCMLXSTDCXZFJ-YHELAOLJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O