6,11,14-Trihydroxy-12-Methoxyabieta-5,8,11,13-Tetraen-7-One

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Properties Simple | Detailed

Formula C21H28O5
IUPAC Name (4ar)-5,8,10-trihydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
Molecular Mass 360.444 g·mol−1
Heat of Formation -903.8 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 426.95 Å 3
Surface Area 345.53 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar)-5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2h-phenanthren-9-one
  • (4ar)-5,8,10-trihydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
  • (r)-2,3,4,4a-tetrahydro-5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1h)-phenanthrenone
  • 2,3,4,4a-tetrahydro-5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-(methylethyl)-9(1h)-phenanthrenone
  • 9(1h)-phenanthrenone, 2,3,4,4a-tetrahydro-5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (r)-
  • coleon u 12 methyl ether
CAS Number(s)
  • 65714-80-9
InChIKey QWFMIWDUMBELIV-OAQYLSRUSA-N
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