EINECS 231-585-2

[2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Also Known As: EINECS 231-585-2|KST-1A8325|[2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|(5|A,11|A,16|A)-17-hydroxy-16-methyl-11-{[(4-methylphenyl)sulfonyl]oxy}-3,20-dioxopregnan-21-yl acetate|11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulfonate)|11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate)|17-Hydroxy-16-methyl-11-[(4-methylbenzene-1-sulfonyl)oxy]-3,20-dioxopregnan-21-yl acetate|[2-[17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|11-alpha,17-alpha,21-trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione21-acetate-11-|16alpha-Methyl-3,20-dioxo-5alpha-pregnane-11alpha,17,21-triol 21-acetate 11-(4-methylbenzenesulfonate)|17-Hydroxy-16alpha-methyl-11alpha-[(4-methylbenzene-1-sulfonyl)oxy]-3,20-dioxo-5alpha-pregnan-21-yl acetate|2-[(1R,2R,3aS,3bS,5aS,9aS,9bS,10R,11aS)-1-hydroxy-2,9a,11a-trimethyl-10-[(4-methylbenzenesulfonyl)oxy]-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

Molecular Formula	C31H42O8S
Molecular Weight	574.26 g/mol
LogP	4.4
Topological Polar Surface Area	124.04 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	574.26
Heavy Atoms	40
Complexity	1304.8

Chemical Identifiers

CAS Number	7645-58-1
SMILES	C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)OS(=O)(=O)C5=CC=C(C=C5)C)C