Mdpgto-3,21

[2-[(3S,5S,8S,10S,13S,14S,16S,17R)-3-acetyloxy-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Also Known As: Mdpgto-3,21|[2-[(3S,5S,8S,10S,13S,14S,16S,17R)-3-acetyloxy-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|17-Hydroxy-16-methyl-20-oxopregn-9(11)-ene-3,21-diyl diacetate|17-Hydroxy-16-methyl-20-oxo-3beta,5alpha,16beta-pregn-9(11)-ene-3,21-diyl diacetate|pregn-9(11)-en-20-one, 3,21-bis(acetyloxy)-17-hydroxy-16-methyl-,(3|A,5|A,16|A)-|[(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetyloxyacetyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate|16beta-Methyl-5alpha-delta 9(11)-pregnene-3beta,17alpha,21-triol-20-one-3beta,21-diacetate|Pregn-9(11)-en-20-one, 3,21-bis(acetyloxy)-17-hydroxy-16-methyl-, (3beta,5alpha,16beta)-

Molecular Formula	C26H38O6
Molecular Weight	446.26685 g/mol
LogP	3.9
Topological Polar Surface Area	89.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	446.26685
Monoisotopic Mass	446.26685
Heavy Atoms	32
Complexity	847.0

Chemical Identifiers

CAS Number	54529-77-0
SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4(C3=CC[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)OC(=O)C
InChIKey	LZDXFAIWUWCKMU-QLVSLZPCSA-N