(2β,5β,9β,10Alpha,13Alpha,15R)-2,15,16-Trihydroxypimar-7-En-3-One

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Properties Simple | Detailed

Formula C20H32O4
IUPAC Name (3s,4as,4br,7s,10as)-7-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one
Molecular Mass 336.466 g·mol−1
Heat of Formation -872.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 426.32 Å 3
Surface Area 332.1 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4as,4br,7s,10as)-7-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one
  • 2(1h)-phenanthrenone, 7-(1,2-dihydroxyethyl)-3,4,4a,4b,5,6,7,8,10,10a-decahydro-3-hydroxy-1,1,4a,7-tetramethyl-, (3s-(3alpha,4abeta,4balpha,7beta(s*),10aalpha))-
  • 2,15,16-trihydroxy-ent-pimar-7-en-3-one
CAS Number(s)
  • 89354-44-9
InChIKey NZHPGYUQZUOTLL-DJXZQIQKSA-N
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