14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}cardanolide

(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one

Also Known As: 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}cardanolide|14-Hydroxy-3beta-{[2-(4-hydroxyphenyl)ethyl]amino}-5beta-cardanolide|Cardanolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-|(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one

Molecular Formula	C31H45NO4
Molecular Weight	495.33487 g/mol
LogP	5.5
Topological Polar Surface Area	78.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	495.33487
Monoisotopic Mass	495.33487
Heavy Atoms	36
Complexity	825.0

Chemical Identifiers

CAS Number	99223-91-3
SMILES	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)NCCC6=CC=C(C=C6)O
InChIKey	ZFQCAVKXCHQLGE-UJMMTZMYSA-N