16-Oxocleroda-3,13E-Dien-15-Oic Acid

CAS	117620-72-1
Synonyms	16-Oxocleroda-3,13-dien-15-oic acid
IUPAC Name	(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
Molecular Weight	318.45
Molecular Formula	C20H30O3
Canonical SMILES	C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C\C(=O)O)/C=O)CCC=C2C)C
InChI	InChI=1S/C20H30O3/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16(13-21)12-18(22)23/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b16-12+/t15-,17+,19+,20+/m1/s1
InChI Key	LUZARHTWSOXFLP-HEZUFYQYSA-N
Boiling Point	446.0±28.0 °C
Purity	98%
Density	1.021±0.06 g/ml
pKa	3.76±0.33
Appearance	Solid