Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate

Catalog	BBC60188956
CAS	60188-95-6
Synonyms	1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-9-oxo-, methyl ester, (1R,4aS,10aR)-
IUPAC Name	Methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Molecular Weight	344.44
Molecular Formula	C21H28O4
Canonical SMILES	C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC
InChI	InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1
InChI Key	VGWVMAMFNRSDED-DUXKGJEZSA-N
Boiling Point	477.5±45.0 °C
Purity	98%
Density	1.135±0.06 g/ml
Appearance	Solid
pKa	14.43±0.29