About lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one
lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one (PubChem CID 162148685) has the molecular formula C131H225IKLiO17S3
and a molecular weight of 2341.37 g/mol. Its IUPAC name is lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one.
Frequently Asked Questions
What is the IUPAC name of lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one?
The IUPAC name of lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one (CID 162148685) is lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one.
What is the SMILES notation for lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one?
The canonical SMILES for lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one is C.C.C.C1CC2(CCC13COC3)CO2.CC(C)(C)[O-].CO.CS(C)(C)I.C[C@H](C(CC1(O)CCC2(CC1)COC2)S(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C.C[C@H](CCC1(O)CCC2(CC1)COC2)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C.C[C@H](CS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C.O=C1CCC2(CC1)COC2.[CH2-]CCC.[K+].[Li+].
What is the InChIKey of lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one?
The InChIKey is KAGUPNSVPWGGFV-XESSLYRLSA-N. The full InChI is InChI=1S/C38H58O5S.C32H54O3.C29H44O3S.C9H14O2.C8H12O2.C4H9O.C4H9.C3H9IS.CH4O.3CH4.K.Li/c1-26(33(44(41,42)28-8-6-5-7-9-28)23-38(40)20-18-37(19-21-38)24-43-25-37)30-12-13-31-29-11-10-27-22-34(2,39)16-17-35(27,3)32(29)14-15-36(30,31)4;1-22(9-12-32(34)17-15-31(16-18-32)20-35-21-31)25-7-8-26-24-6-5-23-19-28(2,33)13-14-29(23,3)27(24)10-11-30(25,26)4;1-20(19-33(31,32)22-8-6-5-7-9-22)24-12-13-25-23-11-10-21-18-27(2,30)16-17-28(21,3)26(23)14-15-29(24,25)4;1-3-9(7-11-9)4-2-8(1)5-10-6-8;9-7-1-3-8(4-2-7)5-10-6-8;1-4(2,3)5;1-3-4-2;1-5(2,3)4;1-2;;;;;/h5-9,26-27,29-33,39-40H,10-25H2,1-4H3;22-27,33-34H,5-21H2,1-4H3;5-9,20-21,23-26,30H,10-19H2,1-4H3;1-7H2;1-6H2;1-3H3;1,3-4H2,2H3;1-3H3;2H,1H3;3*1H4;;/q;;;;;2*-1;;;;;;2*+1/t26-,27-,29-,30+,31-,32-,33?,34-,35-,36+;22-,23+,24+,25-,26+,27+,28+,29+,30-;20-,21+,23+,24-,25+,26+,27+,28+,29-;;;;;;;;;;;/m011.........../s1.
What are the key properties of lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one?
lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one has a molecular weight of 2341.37 g/mol, XLogP of 23.04, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;7-[(3S)-2-(benzenesulfonyl)-3-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;butane;2,8-dioxadispiro[2.2.36.23]undecane;7-[(3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butyl]-2-oxaspiro[3.5]nonan-7-ol;iodo(trimethyl)-λ4-sulfane;methane;methanol;2-methylpropan-2-olate;2-oxaspiro[3.5]nonan-7-one is sourced from PubChem (CID 162148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).