Lantaiursolic acid

(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Also Known As: Lantaiursolic acid|3-Isovaleroyl-19-hydroxyursolic acid|KST-1A2159|(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(3|A,5xi,18|A)-19-hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid|19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid|(5xi)-19-Hydroxy-3beta-[(3-methylbutanoyl)oxy]-18alpha-urs-12-en-28-oic acid

Molecular Formula	C35H56O5
Molecular Weight	556.4128 g/mol
LogP	7.8
Topological Polar Surface Area	83.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	556.4128
Monoisotopic Mass	556.4128
Heavy Atoms	40
Complexity	1090.0

Chemical Identifiers

CAS Number	1808-07-7
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)C)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChIKey	VNSKBPUANWSMPF-NVCZMFLESA-N