Betulonicacid

Catalog	BBC4481623
CAS	4481-62-3
Structure
Synonyms	Lup-20(29)-ene-28-oic acid,3-oxo
IUPAC Name	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Molecular Weight	454.69
Molecular Formula	C30H46O3
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O
InChI	InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
InChI Key	SLJTWDNVZKIDAU-SVAFSPIFSA-N
Boiling Point	548.1±33.0 °C
Melting Point	253 °C
Purity	98%
Density	1.061±0.06 g/ml
Appearance	White powder
pKa	4.62±0.70