Methyl Ursolate

methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Also Known As: Methyl ursolate|Ursolic acid methyl ester|methylursolate|Ursolic acid methylester|Ursolic acid, methyl ester|3|A-O-3|A-methyl ursolate|3|A-ursolic acid methyl ester|MEGxp0_001727|EINECS 250-953-3|TN7004|URSOLIC ACID METHYLESTER with HPLC|Methyl 3beta-hydroxyurs-12-en-28-oate|3beta-Hydroxyurs-12-en-28-oic acid methyl ester|methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate|2-(TERT-BUTOXYCARBONYL)ISOINDOLINE-5-CARBOXYLICACID|Urs-12-en-28-oic acid, 3.beta.-hydroxy-, methyl ester|Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-|19beta-Methyl-3beta-hydroxy-30-norolean-12-en-28-oic acid methyl ester|3beta-Hydroxy-19beta-methyl-30-norolean-12-en-28-oic acid methyl ester|(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester|methyl (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Molecular Formula	C31H50O3
Molecular Weight	470.376 g/mol
LogP	7.7
Topological Polar Surface Area	46.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	470.376
Monoisotopic Mass	470.376
Heavy Atoms	34
Complexity	889.0

Chemical Identifiers

CAS Number	915-32-2
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC
InChIKey	YCBSMEKEDOHEQI-QHQGJMPNSA-N