1,2,3,19-Tetrahydroxy-12-Ursen-28-Oic Acid

CAS	113558-03-5
Structure
Synonyms	1β,2α,3β,19α-Tetrahydroxy-12-ursen-28-oic acid
IUPAC Name	(1R,2R,4aS,6aS,6aS,6bR,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	504.7
Molecular Formula	C30H48O6
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C(C(C(C5(C)C)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI	InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19+,20?,21-,22?,23?,26-,27-,28+,29-,30+/m1/s1
InChI Key	VULLSLYDWNGNKZ-OYHHKQTFSA-N
Purity	98%
Appearance	Solid