Echinocystic Acid

Catalog	BBC510305
CAS	510-30-5
Structure
Synonyms	3β,16α-Dihydroxyolean-12-en-28-oic acid
IUPAC Name	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	472.71
Molecular Formula	C30H48O4
Canonical SMILES	C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O
InChI	InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
InChI Key	YKOPWPOFWMYZJZ-PRIAQAIDSA-N
Boiling Point	585.0±50.0 °C
Melting Point	299-300 °C
Purity	98%
Density	1.14 g/ml
Appearance	Powder
pKa	4.43±0.70