(3α,5Beta,10α)-13-Methyl-14-Vinylpodocarpa-8,11,13-Triene-3,12-Diol

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (2r,4ar,10as)-1,1,4a,7-tetramethyl-8-vinyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
Molecular Mass 300.435 g·mol−1
Heat of Formation -422.5 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 387.46 Å 3
Surface Area 315.27 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4ar,10as)-1,1,4a,7-tetramethyl-8-vinyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
  • (2r,4ar,10as)-8-ethenyl-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
  • 2,6-phenanthrenediol, 8-ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-, (2r-(2alpha,4aalpha,10abeta))-
  • 3alpha,12-hydroxy-cleistanth-8,11,13,15-tetraene
  • spruceanol
CAS Number(s)
  • 72963-56-5
InChIKey KNSRUHGNXCWGHF-GGPKGHCWSA-N
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