15-Hydroxyabieta-8,11,13-Trien-7-One

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (4as,10as)-7-(1-hydroxy-1-methyl-ethyl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
Molecular Mass 300.435 g·mol−1
Heat of Formation -476.8 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 388.27 Å 3
Surface Area 319.71 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,10as)-7-(1-hydroxy-1-methyl-ethyl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
  • (4as,10as)-7-(1-hydroxy-1-methylethyl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
  • (4as,10as)-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
  • 15-hoat
  • 15-hydroxy-7-oxo-abieta-8,11,13-triene
  • 2,3,4,4a,10,10a-hexahydro-7-(1-hydroxy-1-methylethyl)-1,1,4a-trimethyl-9(1h)-phenanthrennone (4as-trans)-
  • 9(1h)-phenanthrennone, 2,3,4,4a,10,10a-hexahydro-7-(1-hydroxy-1-methylethyl)-1,1,4a-trimethyl-, (4as-trans)-
CAS Number(s)
  • 105037-83-0
InChIKey OVZJPSRACVBRNG-FXAWDEMLSA-N
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