potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate

C177H270BrKO21P+ — CID 163963299

IUPACpotassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate
SMILESC/C(=C\CCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.C1=COCCC1.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)(C)[O-].CC[C@H]1OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](/C(C)=C/CCCC(=O)OC)[C@@]5(C)CC[C@@H]43)C2)C=C[C@@H]1C.CC[C@H]1OC=C[C@@H](C)[C@@H]1C.CO.COC(=O)CCC/C=C(\C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=C(O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H+].[K+]
InChIInChI=1S/C35H54O4.C27H42O3.2C26H40O3.C23H24BrO2P.C21H32O2.C9H16O.C5H8O.C4H9O.CH4O.K/c1-7-31-24(3)12-17-33(39-31)38-26-18-20-34(4)25(22-26)13-14-27-29-16-15-28(35(29,5)21-19-30(27)34)23(2)10-8-9-11-32(36)37-6;1-18(7-5-6-8-25(29)30-4)22-11-12-23-21-10-9-19-17-20(28)13-15-26(19,2)24(21)14-16-27(22,23)3;1-17(27)21-9-10-22-20-8-7-18-16-19(29-24-6-4-5-15-28-24)11-13-25(18,2)23(20)12-14-26(21,22)3;1-17(6-4-5-7-24(28)29)21-10-11-22-20-9-8-18-16-19(27)12-14-25(18,2)23(20)13-15-26(21,22)3;24-27(19-11-10-18-23(25)26,20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;1-4-9-8(3)7(2)5-6-10-9;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h10,12-13,17,24,26-31,33H,7-9,11,14-16,18-22H2,1-6H3;7,9,20-24,28H,5-6,8,10-17H2,1-4H3;7,19-24H,4-6,8-16H2,1-3H3;6,8,19-23,27H,4-5,7,9-16H2,1-3H3,(H,28,29);1-9,12-17H,10-11,18-19H2,(H,25,26);4,15-19,23H,5-12H2,1-3H3;5-9H,4H2,1-3H3;2,4H,1,3,5H2;1-3H3;2H,1H3;/q;;;;;;;;-1;;+1/p+1/b23-10+;18-7+;;17-6+;;;;;;;/t24-,26-,27-,28+,29-,30-,31+,33?,34-,35+;20-,21-,22+,23-,24-,26-,27+;19-,20-,21+,22-,23-,24?,25-,26+;19-,20-,21+,22-,23-,25-,26+;;15-,16-,17+,18-,19-,20-,21+;7-,8+,9-;;;;/m0000.01..../s1
InChIKeySJJYKSVJASALEC-AGRJERGQSA-O
MW2884.06 g/mol
LogP37.34
Rot. Bonds31

About potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate

potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate (PubChem CID 163963299) has the molecular formula C177H270BrKO21P+ and a molecular weight of 2884.06 g/mol. Its IUPAC name is potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate
PubChem CID163963299
Molecular FormulaC177H270BrKO21P+
Molecular Weight2884.06 g/mol
Exact Mass2880.86
IUPAC Namepotassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate
SMILESC/C(=C\CCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.C1=COCCC1.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)(C)[O-].CC[C@H]1OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](/C(C)=C/CCCC(=O)OC)[C@@]5(C)CC[C@@H]43)C2)C=C[C@@H]1C.CC[C@H]1OC=C[C@@H](C)[C@@H]1C.CO.COC(=O)CCC/C=C(\C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=C(O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H+].[K+]
InChIInChI=1S/C35H54O4.C27H42O3.2C26H40O3.C23H24BrO2P.C21H32O2.C9H16O.C5H8O.C4H9O.CH4O.K/c1-7-31-24(3)12-17-33(39-31)38-26-18-20-34(4)25(22-26)13-14-27-29-16-15-28(35(29,5)21-19-30(27)34)23(2)10-8-9-11-32(36)37-6;1-18(7-5-6-8-25(29)30-4)22-11-12-23-21-10-9-19-17-20(28)13-15-26(19,2)24(21)14-16-27(22,23)3;1-17(27)21-9-10-22-20-8-7-18-16-19(29-24-6-4-5-15-28-24)11-13-25(18,2)23(20)12-14-26(21,22)3;1-17(6-4-5-7-24(28)29)21-10-11-22-20-9-8-18-16-19(27)12-14-25(18,2)23(20)13-15-26(21,22)3;24-27(19-11-10-18-23(25)26,20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;1-4-9-8(3)7(2)5-6-10-9;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h10,12-13,17,24,26-31,33H,7-9,11,14-16,18-22H2,1-6H3;7,9,20-24,28H,5-6,8,10-17H2,1-4H3;7,19-24H,4-6,8-16H2,1-3H3;6,8,19-23,27H,4-5,7,9-16H2,1-3H3,(H,28,29);1-9,12-17H,10-11,18-19H2,(H,25,26);4,15-19,23H,5-12H2,1-3H3;5-9H,4H2,1-3H3;2,4H,1,3,5H2;1-3H3;2H,1H3;/q;;;;;;;;-1;;+1/p+1/b23-10+;18-7+;;17-6+;;;;;;;/t24-,26-,27-,28+,29-,30-,31+,33?,34-,35+;20-,21-,22+,23-,24-,26-,27+;19-,20-,21+,22-,23-,24?,25-,26+;19-,20-,21+,22-,23-,25-,26+;;15-,16-,17+,18-,19-,20-,21+;7-,8+,9-;;;;/m0000.01..../s1
InChIKeySJJYKSVJASALEC-AGRJERGQSA-O
XLogP37.34
TPSA320.70 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.06
LogP ≤ 537.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate with MolForge

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Related Compounds

5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-7-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-6-en-2-one
CID 163850725
5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;methane;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate
CID 167568458
methyl (E)-6-[(3S,8S,9S,10R,13S,14S)-3-[[(2R,3S)-3-diphenylphosphoryloxy-2-(diphenylphosphoryloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate
CID 178090741
methyl (E)-6-[(10R,13S,17R)-3-[[3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate
CID 166896143
methyl (E)-6-[(3S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate
CID 175777551
1-[(3S,8S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 163734412
[(2R,3S)-3-acetyloxy-6-[[(3S,8S,9S,10R,13S,14S,17R)-17-[(E)-8-methoxyoct-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 178179148
[(2R,3S)-3-acetyloxy-6-[[(3S,8S,9S,10R,13S,14S,17R)-17-[(E)-5-methoxypent-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 178179191
[(2R,3S)-3-acetyloxy-6-[[(3S,8S,9S,10R,13S,14S,17R)-17-[(E)-7-ethylsulfanylhept-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 178179138
(E)-N-[(4-chlorophenyl)methoxy]-1-[(10R,13S,17S)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanimine;(E)-1-[(10R,13S,17S)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(2-methoxyphenyl)methoxy]ethanimine;(E)-1-[(10R,13S,17S)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenoxyethanimine;(E)-1-[(10R,13S,17S)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(4-propan-2-ylphenyl)methoxy]ethanimine
CID 172930152
1-[(3S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 148819576
1-[(10R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 148819580

Frequently Asked Questions

What is the IUPAC name of potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate?
The IUPAC name of potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate (CID 163963299) is potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate.
What is the SMILES notation for potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate?
The canonical SMILES for potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate is C/C(=C\CCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.C1=COCCC1.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)(C)[O-].CC[C@H]1OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](/C(C)=C/CCCC(=O)OC)[C@@]5(C)CC[C@@H]43)C2)C=C[C@@H]1C.CC[C@H]1OC=C[C@@H](C)[C@@H]1C.CO.COC(=O)CCC/C=C(\C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=C(O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.[H+].[K+].
What is the InChIKey of potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate?
The InChIKey is SJJYKSVJASALEC-AGRJERGQSA-O. The full InChI is InChI=1S/C35H54O4.C27H42O3.2C26H40O3.C23H24BrO2P.C21H32O2.C9H16O.C5H8O.C4H9O.CH4O.K/c1-7-31-24(3)12-17-33(39-31)38-26-18-20-34(4)25(22-26)13-14-27-29-16-15-28(35(29,5)21-19-30(27)34)23(2)10-8-9-11-32(36)37-6;1-18(7-5-6-8-25(29)30-4)22-11-12-23-21-10-9-19-17-20(28)13-15-26(19,2)24(21)14-16-27(22,23)3;1-17(27)21-9-10-22-20-8-7-18-16-19(29-24-6-4-5-15-28-24)11-13-25(18,2)23(20)12-14-26(21,22)3;1-17(6-4-5-7-24(28)29)21-10-11-22-20-9-8-18-16-19(27)12-14-25(18,2)23(20)13-15-26(21,22)3;24-27(19-11-10-18-23(25)26,20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;1-4-9-8(3)7(2)5-6-10-9;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h10,12-13,17,24,26-31,33H,7-9,11,14-16,18-22H2,1-6H3;7,9,20-24,28H,5-6,8,10-17H2,1-4H3;7,19-24H,4-6,8-16H2,1-3H3;6,8,19-23,27H,4-5,7,9-16H2,1-3H3,(H,28,29);1-9,12-17H,10-11,18-19H2,(H,25,26);4,15-19,23H,5-12H2,1-3H3;5-9H,4H2,1-3H3;2,4H,1,3,5H2;1-3H3;2H,1H3;/q;;;;;;;;-1;;+1/p+1/b23-10+;18-7+;;17-6+;;;;;;;/t24-,26-,27-,28+,29-,30-,31+,33?,34-,35+;20-,21-,22+,23-,24-,26-,27+;19-,20-,21+,22-,23-,24?,25-,26+;19-,20-,21+,22-,23-,25-,26+;;15-,16-,17+,18-,19-,20-,21+;7-,8+,9-;;;;/m0000.01..../s1.
What are the key properties of potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate?
potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate has a molecular weight of 2884.06 g/mol, XLogP of 37.34, 31 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-[bromo(triphenyl)-λ5-phosphanyl]pentanoic acid;3,4-dihydro-2H-pyran;1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2R,3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;hydron;1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid;methanol;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate;2-methylpropan-2-olate is sourced from PubChem (CID 163963299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).