1-Decarboxy-3-oxo-ceathic acid

CAS	214150-74-0
Synonyms	1-Norbetulonic acid
IUPAC Name	(1R,2R,5S,8R,9R,10R,13R,14R,18R)-1,2,14,17,17-pentamethyl-16-oxo-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
Molecular Weight	440.67
Molecular Formula	C29H44O3
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC(=O)C5(C)C)C)C)C(=O)O
InChI	InChI=1S/C29H44O3/c1-17(2)18-10-13-29(24(31)32)15-14-27(6)19(23(18)29)8-9-21-26(5)16-22(30)25(3,4)20(26)11-12-28(21,27)7/h18-21,23H,1,8-16H2,2-7H3,(H,31,32)/t18-,19+,20-,21+,23+,26-,27+,28+,29-/m0/s1
InChI Key	NUDCZUBEFGYVSS-RSICVRGJSA-N
Purity	98%
Appearance	Solid