12-Hydroxypodocarpa-8,11,13-Trien-16-Oic Acid

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Properties Simple | Detailed

Formula C17H22O3
IUPAC Name (1s,4as,10ar)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Mass 274.355 g·mol−1
Heat of Formation -621.0 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 335.33 Å 3
Surface Area 275.49 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,10ar)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acid
  • (1s,4as,10ar)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
  • (1s,4as,10ar)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, (1s-(1alpha,4aalpha,10abeta))- (9ci)
  • acon0_000057
  • acon1_002112
  • megxp0_001903
  • podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy- (van) (8ci)
  • podocarpic acid
  • timtec1_001673
CAS Number(s)
  • 5947-49-9
InChIKey VJILEYKNALCDDV-OIISXLGYSA-N
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