Daturaolone

(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

Also Known As: Daturaolone|A-hydroxyolean-12-en-3-one|6beta-Hydroxyolean-12-en-3-one|6.beta.-Hydroxyolean-12-en-3-one|TN6570|FS-8130|NCI60_037648|(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one|Olean-12-en-3-one, 6-hydroxy-, (6beta)-|(4aR,5R,6aR,6bR,8S,8aR,12aR,14aR,14bR)-5-Hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one|(4AR,5R,6AR,6BS,8AR,12AR,14AR,14BR)-5-HYDROXY-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-ONE

Molecular Formula	C30H48O2
Molecular Weight	440.36542 g/mol
LogP	7.35
Topological Polar Surface Area	37.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	440.36542
Heavy Atoms	32
Complexity	866.1

Chemical Identifiers

CAS Number	41498-80-0
SMILES	C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)[C@@H]1CC(CC2)(C)C)C