Sitosterol palmitate

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate

Also Known As: Sitosteryl palmitate|Sitosterol palmitate|beta-Sitosteryl palmitate|caffeoyl pentose|beta-Sitosterol palmitate|Sitosterylpalmitate|beta-Rosasterol palmitate|Sitosteryl palmitate, (+)-|16:0 Sitosteryl ester||?-Sitosteryl palmitate|beta-sitosterol plamitate|beta-Sitosterol hexadecanoate|Stigmast-5-en-3beta-ol, palmitate|Stigmast-5-en-3beta-yl hexadecanoate||A-Sitosterol |A-D-Glucuronide|Stigmast-5-en-3beta-ol palmitate|.BETA.-ROSASTEROL PALMITATE|.BETA.-SITOSTERYL PALMITATE|HY-N1237|3beta-(Palmitoyloxy)stigmasta-5-ene|NP6211|3beta-(Hexadecanoyloxy)stigmast-5-ene|(3|A)-Stigmast-5-en-3-yl palmitate|FS-9628|(3beta)-Stigmast-5-en-3-yl palmitate|Stigmast-5-en-3-ol, 3-hexadecanoate, (3beta)-|Palmitic acid stigmast-5-en-3beta-yl ester|Stigmast-5-en-3-ol,3-hexadecanoate, (3b)-|STIGMAST-5-EN-3.BETA.-OL, PALMITATE|Hexadecanoic acid stigmast-5-en-3beta-yl ester|STIGMAST-5-EN-3-OL, 3-HEXADECANOATE, (3.BETA.)-|Sitosterol palmitate;-Sitosterol hexadecanoate; -Sitosteryl palmitate|[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate|((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) hexadecanoate

Molecular Formula	C45H80O2
Molecular Weight	652.61584 g/mol
LogP	14.057
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	21
Exact Mass	652.61584
Monoisotopic Mass	652.61584
Heavy Atoms	47
Complexity	949.61725

Chemical Identifiers

CAS Number	2308-85-2
SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C