lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one

C129H206F3IKLiO13S3 — CID 163683320

About lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one

lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one (PubChem CID 163683320) has the molecular formula C129H206F3IKLiO13S3 and a molecular weight of 2291.19 g/mol. Its IUPAC name is lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one.

Molecular Properties

• Compound Name: lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one
• PubChem CID: 163683320
• Molecular Formula: C129H206F3IKLiO13S3
• Molecular Weight: 2291.19 g/mol
• Exact Mass: 2289.34
• IUPAC Name: lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one
• SMILES: C1CC12CCC1(CC2)CO1.CC(C)(C)[O-].CC1C[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)CCC1(O)CCC2(CC1)CC2.CO.CS(C)(C)I.C[C@H](C(CC1(O)CCC2(CC1)CC2)S(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[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=C4C[C@](O)(C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C.O=C1CCC2(CC1)CC2.[CH2-]CCC.[K+].[Li+]
• InChI: InChI=1S/C38H56O4S.C33H54O2.C29H39F3O3S.C9H14O.C8H12O.C4H9O.C4H9.C3H9IS.CH4O.K.Li/c1-26(33(43(41,42)28-8-6-5-7-9-28)25-38(40)22-20-37(18-19-37)21-23-38)30-12-13-31-29-11-10-27-24-34(2,39)16-17-35(27,3)32(29)14-15-36(30,31)4;1-22(8-11-33(35)18-16-32(14-15-32)17-19-33)28-23(2)20-27-25-7-6-24-21-29(3,34)12-13-30(24,4)26(25)9-10-31(27,28)5;1-19(18-36(34,35)21-7-5-4-6-8-21)23-11-12-24-22-10-9-20-17-28(33,29(30,31)32)16-15-26(20,2)25(22)13-14-27(23,24)3;1-2-8(1)3-5-9(6-4-8)7-10-9;9-7-1-3-8(4-2-7)5-6-8;1-4(2,3)5;1-3-4-2;1-5(2,3)4;1-2;;/h5-10,26,29-33,39-40H,11-25H2,1-4H3;6,22-23,25-28,34-35H,7-21H2,1-5H3;4-9,19,22-25,33H,10-18H2,1-3H3;1-7H2;1-6H2;1-3H3;1,3-4H2,2H3;1-3H3;2H,1H3;;/q;;;;;2*-1;;;2*+1/t26-,29-,30+,31-,32-,33?,34-,35-,36+;22-,23?,25-,26+,27+,28+,29+,30+,31+;19-,22+,23-,24+,25+,26+,27-,28+;;;;;;;;/m011......../s1
• InChIKey: FHPVMHJFACJMIU-WOADSLSFSA-N
• XLogP: 24.74
• TPSA: 242.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.19
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one?

The IUPAC name of lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one (CID 163683320) is lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one.

What is the SMILES notation for lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one?

The canonical SMILES for lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one is C1CC12CCC1(CC2)CO1.CC(C)(C)[O-].CC1C[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)CCC1(O)CCC2(CC1)CC2.CO.CS(C)(C)I.C[C@H](C(CC1(O)CCC2(CC1)CC2)S(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[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=C4C[C@](O)(C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C.O=C1CCC2(CC1)CC2.[CH2-]CCC.[K+].[Li+].

What is the InChIKey of lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one?

The InChIKey is FHPVMHJFACJMIU-WOADSLSFSA-N. The full InChI is InChI=1S/C38H56O4S.C33H54O2.C29H39F3O3S.C9H14O.C8H12O.C4H9O.C4H9.C3H9IS.CH4O.K.Li/c1-26(33(43(41,42)28-8-6-5-7-9-28)25-38(40)22-20-37(18-19-37)21-23-38)30-12-13-31-29-11-10-27-24-34(2,39)16-17-35(27,3)32(29)14-15-36(30,31)4;1-22(8-11-33(35)18-16-32(14-15-32)17-19-33)28-23(2)20-27-25-7-6-24-21-29(3,34)12-13-30(24,4)26(25)9-10-31(27,28)5;1-19(18-36(34,35)21-7-5-4-6-8-21)23-11-12-24-22-10-9-20-17-28(33,29(30,31)32)16-15-26(20,2)25(22)13-14-27(23,24)3;1-2-8(1)3-5-9(6-4-8)7-10-9;9-7-1-3-8(4-2-7)5-6-8;1-4(2,3)5;1-3-4-2;1-5(2,3)4;1-2;;/h5-10,26,29-33,39-40H,11-25H2,1-4H3;6,22-23,25-28,34-35H,7-21H2,1-5H3;4-9,19,22-25,33H,10-18H2,1-3H3;1-7H2;1-6H2;1-3H3;1,3-4H2,2H3;1-3H3;2H,1H3;;/q;;;;;2*-1;;;2*+1/t26-,29-,30+,31-,32-,33?,34-,35-,36+;22-,23?,25-,26+,27+,28+,29+,30+,31+;19-,22+,23-,24+,25+,26+,27-,28+;;;;;;;;/m011......../s1.

What are the key properties of lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one?

lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one has a molecular weight of 2291.19 g/mol, XLogP of 24.74, 15 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;potassium;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-(benzenesulfonyl)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;butane;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-4-(6-hydroxyspiro[2.5]octan-6-yl)butan-2-yl]-3,10,13,16-tetramethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol;iodo(trimethyl)-λ4-sulfane;methanol;2-methylpropan-2-olate;8-oxadispiro[2.2.26.23]decane;spiro[2.5]octan-6-one is sourced from PubChem (CID 163683320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).