About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 91450693) has the molecular formula C138H234O24
and a molecular weight of 2277.37 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Frequently Asked Questions
What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CID 91450693) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is CCC(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OCCC(=O)OC(C)(C)C)[C@@]3(C)CCC12.CCC(C)C(=O)OC1CC[C@@]2(C)C(CCC3C4CCC(C(C)CCC(=O)OC(C)(C)COC)[C@@]4(C)CCC32)C1.CCC(C)C(=O)OC1CC[C@@]2(C)C(CCC3C4CCC(C(C)CCC(=O)OC(C)OCCOCCOCCOC)[C@@]4(C)CCC32)C1.CCC(C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3C4CCC(C(C)CCC(=O)OC)[C@@]4(C)CCC32)C1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
The InChIKey is HLIYUTCWGZVXHL-GKUFLNRESA-N. The full InChI is InChI=1S/C38H66O8.C36H60O7.C34H58O5.C30H50O4/c1-8-26(2)36(40)46-30-15-17-37(5)29(25-30)10-11-31-33-13-12-32(38(33,6)18-16-34(31)37)27(3)9-14-35(39)45-28(4)44-24-23-43-22-21-42-20-19-41-7;1-9-22(2)33(40)42-25-14-17-35(7)24(20-25)21-29(37)32-27-12-11-26(36(27,8)18-15-28(32)35)23(3)10-13-30(38)41-19-16-31(39)43-34(4,5)6;1-9-22(2)31(36)38-25-16-18-33(6)24(20-25)11-12-26-28-14-13-27(34(28,7)19-17-29(26)33)23(3)10-15-30(35)39-32(4,5)21-37-8;1-7-19(2)28(32)34-22-14-16-29(4)21(18-22)9-10-23-25-12-11-24(20(3)8-13-27(31)33-6)30(25,5)17-15-26(23)29/h26-34H,8-25H2,1-7H3;22-29,32,37H,9-21H2,1-8H3;22-29H,9-21H2,1-8H3;19-26H,7-18H2,1-6H3/t26?,27?,28?,29?,30?,31?,32?,33?,34?,37-,38+;22?,23?,24?,25?,26?,27?,28?,29?,32?,35-,36+;22?,23?,24?,25?,26?,27?,28?,29?,33-,34+;19?,20?,21?,22-,23?,24?,25?,26?,29-,30+/m0000/s1.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 2277.37 g/mol, XLogP of 30.05, 45 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;(1-methoxy-2-methylpropan-2-yl) 4-[(10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;methyl 4-[(3S,10S,13R)-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-[(10S,13R)-7-hydroxy-10,13-dimethyl-3-(2-methylbutanoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 91450693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).