Methyl-3b-acetoxybetulinate

methyl 9-acetyloxy-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-carboxylate

Also Known As: Methyl-3b-acetoxybetulinate|Methyl 3b-acetylbetulinate|Methyl 3beta-acetoxylup-20(29)-en-28-oate|Methyl 3-(acetyloxy)lup-20(30)-en-28-oate #|Lup-20(29)-en-28-oic acid,3-(acetyloxy)-,methyl ester,(3beta); Methyl 3-(acetyloxy)lup-20(29)-en-28-oate (3beta);|methyl 9-acetyloxy-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-carboxylate

Molecular Formula	C33H52O4
Molecular Weight	512.38654 g/mol
LogP	9.1
Topological Polar Surface Area	52.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	512.38654
Monoisotopic Mass	512.38654
Heavy Atoms	37
Complexity	983.0

Chemical Identifiers

CAS Number	4356-30-3
SMILES	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC
InChIKey	FBSVHROTXUJUHS-UHFFFAOYSA-N