20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide

(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Also Known As: 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide|J1.917.310K|20b-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide|(22R)-20-hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione|ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-20-hydroxy-, (22R)-|(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one|6-[1-(10,13-Dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxy-ethyl]-3,4-dimethyl-5,6-dihydro-pyran-2-one|(22R)-1-Oxo-20,22-dihydroxy-24-methylcholesta-2,5,24-triene-27-oic acid 27,22-lactone|Ergosta-2,5,24-trien-26-oic acid, 20,22-dihydroxy-1-oxo-, delta-lactone, (22R)-|(2R)-2-((1R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl)-1-hydroxyethyl)-4,5-dimethyl-2,3-dihydropyran-6-one|(6R)-6-[(1R)-1-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one|6-(1-(10,13-Dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-1-hydroxy-ethyl)-3,4-dimethyl-5,6-dihydro-pyran-2-one

Molecular Formula	C28H38O4
Molecular Weight	438.277 g/mol
LogP	4.9
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	438.277
Monoisotopic Mass	438.277
Heavy Atoms	32
Complexity	956.0

Chemical Identifiers

CAS Number	79684-01-8
SMILES	CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C=CC5)C)C)O)C
InChIKey	VOFPJACKXWOYES-ZJOYFJNASA-N