S-Alkylthiuroniumsalz

[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate

Also Known As: S-Alkylthiuroniumsalz|EINECS 222-591-6|KST-1A4264|11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)|(6|A,11|A)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-cyclopentylpropanoate|11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione21-|11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-cyclopentylpropanoate|11beta,17-Dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-cyclopentylpropanoate|[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate|2-((6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 3-cyclopentylpropanoate|2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 3-cyclopentylpropanoate|21-[(3-Cyclopentyl-1-oxopropyl)oxy]-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

Molecular Formula	C30H42O6
Molecular Weight	498.29813 g/mol
LogP	4.32
Topological Polar Surface Area	100.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	498.29813
Heavy Atoms	36
Complexity	991.4

Chemical Identifiers

CAS Number	3545-59-3
SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC5CCCC5)O