Malun 25

trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

Also Known As: Malun 25|Malun-25|trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal|D-Glucose, 4-O beta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17 beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate|D-Glucose, 4-Obeta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate|trisodium; 4-(chlorosulfamoyl)benzoate; [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; 1-sulfonatooxydodecane; (2R,3S,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxym|trisodium; 4-(chlorosulfamoyl)benzoate; dodecyl sulfate; [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

Molecular Formula	C56H80ClNNa3O22S2+
Molecular Weight	1286.3995 g/mol
LogP	-6.5535
Topological Polar Surface Area	413.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	23
Rotatable Bonds	24
Exact Mass	1286.3995
Monoisotopic Mass	1286.3995
Heavy Atoms	85
Complexity	1480.0

Chemical Identifiers

CAS Number	79682-28-3
SMILES	CCCCCCCCCCCCOS(=O)(=O)[O-].C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5.C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)NCl.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+].[Na+].[Na+]
InChIKey	VTCQNIIPDFYPMZ-NYUBMDMSSA-L