Epibetulinic acid

Catalog	BBC38736775
CAS	38736-77-5
Structure
Synonyms	3α-Hydroxylup-20(29)-en-28-oic acid
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular Weight	456.71
Molecular Formula	C30H48O3
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
InChI	InChI=1S/C30H48O3/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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
InChI Key	QGJZLNKBHJESQX-ULZDWRHHSA-N
Boiling Point	550.0±33.0 °C
Melting Point	277 °C
Purity	98%
Density	1.065 g/ml
Appearance	Powder
pKa	4.61±0.70