Holaphyllaminol

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

Also Known As: Holaphyllaminol|3-aminopregn-5-en-20-ol|3beta-Amino-20 beta-hydroxypregn-5-ene|(20R)-3beta-Aminopregn-5-en-20-ol|3|A-Amino-20|A-hydroxy-pregnen-(5)|3 beta-amino-20 beta-hydroxypregn-5-ene|Pregn-5-en-20-ol, 3-amino-, (3beta,20R)-|pregn-5-en-20-ol, 3-amino-,(3|A,20r)-|(1R)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol|(R)-1-((3S,8S,9S,10R,13S,14S,17S)-3-Amino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanol

Molecular Formula	C21H35NO
Molecular Weight	317.27185 g/mol
LogP	4.3
Topological Polar Surface Area	46.3 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	317.27185
Monoisotopic Mass	317.27185
Heavy Atoms	23
Complexity	514.0

Chemical Identifiers

CAS Number	21224-52-2
SMILES	C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N)C)C)O
InChIKey	YSLHAWNJHCEAOF-NFJVIFTASA-N