Acrihellin

[10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate

Also Known As: Acrihellin|Acrihellin [INN]|Acrihelina [Spanish]|AC1L2MPC|Acrihelina [INN-Spanish]|Acrihelline [INN-French]|Acrihellinum [INN-Latin]|CTK2F3088|EINECS 266-909-1|[10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate|D 12316|3 beta,5,14-trihydroxy-19-oxo-5 beta-bufa-20,22-dienolide-3-(3-methylcrotonate)|3-beta,5,14-Trihydroxy-19-oxo-5-beta-bufa-20,22-dienolide 3-(3-methylcrotonate)|3beta,5,14-Trihydroxy-19-oxo-5beta-bufa-20,22-dienolide 3-(3-methylcrotonate)|5,14-Dihydroxy-19-oxo-5beta-bufa-20,22-dienolid-3beta-yl 3-methyl-2-butenoat|(3-beta,5-beta)-5,14-Dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxobufa-20,22-dienolide|[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate|Bufa-20,22-dienolide, 5,14-dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxo-, (3-beta,5-beta)-|Bufa-20,22-dienolide, 5,14-dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxo-, (3beta,5beta)-|Bufa-20,22-dienolide, 5,14-dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxo-,(3-beta,5-beta)-

Molecular Formula	C29H38O7
Molecular Weight	498.26175 g/mol
LogP	4.05
Topological Polar Surface Area	114.04 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	498.26175
Heavy Atoms	36
Complexity	1114.2

Chemical Identifiers

CAS Number	67696-82-6
SMILES	CC(=CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O)C