Description
13-Hydroxy-8,11,13-podocarpatrien-18-oic acid comes from the herbs of Pinus kesiya var. langbianensis.
Synonyms
(1S,4aS)-7-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid;(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-7-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-, (1R,4aS,10aR)-
IUPAC Name
(1S,4aS)-7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Formula
C17H22O3
Canonical SMILES
CC12CCCC(C1CCC3=C2C=CC(=C3)O)(C)C(=O)O
InChI
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14?,16-,17+/m1/s1
InChIKey
DWHTYLMRWXUGJL-XMKPYSNPSA-N
Boiling Point
449.6±45.0 °C(Predicted)
Density
1.182±0.06 g/cm3(Predicted)