13-Hydroxy-8,11,13-Podocarpatrien-18-Oic Acid

CAS	61597-83-9
Structure
Synonyms	(1S,4aS)-7-Hydroxy-1,4a-diMethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
IUPAC Name	(1S,4aS)-7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Weight	274.35
Molecular Formula	C17H22O3
Canonical SMILES	C[C@]12CCC[C@](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
InChI Key	DWHTYLMRWXUGJL-XMKPYSNPSA-N
Boiling Point	449.6±45.0 °C
Purity	98%
Density	1.182±0.06 g/ml
pKa	4.66±0.40
Appearance	Solid