deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)

C149H255N4O16PY15 — CID 158323058

IUPACdeuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)
SMILESC.C.C.C.C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3C[C@@H](OC)[C@]12C.C1CCOC1.C1CCOC1.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCC(=O)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CC[C@H](C(C)O)[C@@]12C.CPC.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/Cc4ccccn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)C(=O)CC[C@@H]32)C1.NCc1ccccn1.[2H]CC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C25H36N2O.C22H38O3.C22H36O2.C20H32O3.C19H30O3.C19H30O2.C6H8N2.2C4H8O.C2H7P.C2H6.4CH4.15Y/c1-24(28)12-10-19-17(15-24)6-7-21-20(19)11-13-25(2)22(21)8-9-23(25)27-16-18-5-3-4-14-26-18;1-13(23)18-7-8-19-16-6-5-14-12-21(2,24)10-9-15(14)17(16)11-20(25-4)22(18,19)3;1-5-15-7-9-19-17-8-6-14-13-21(2,23)11-10-16(14)18(17)12-20(24-4)22(15,19)3;1-19(22)9-8-13-12(11-19)4-5-14-15(13)10-18(23-3)20(2)16(14)6-7-17(20)21;1-18(22)8-7-12-11(10-18)3-4-13-14(12)9-17(21)19(2)15(13)5-6-16(19)20;1-18(21)9-7-13-12(11-18)3-4-15-14(13)8-10-19(2)16(15)5-6-17(19)20;7-5-6-3-1-2-4-8-6;2*1-2-4-5-3-1;1-3-2;1-2;;;;;;;;;;;;;;;;;;;/h3-5,14,17,19-22,28H,6-13,15-16H2,1-2H3;13-20,23-24H,5-12H2,1-4H3;5,14,16-20,23H,6-13H2,1-4H3;12-16,18,22H,4-11H2,1-3H3;11-15,17,21-22H,3-10H2,1-2H3;12-16,21H,3-11H2,1-2H3;1-4H,5,7H2;2*1-4H2;3H,1-2H3;1-2H3;4*1H4;;;;;;;;;;;;;;;/b27-23+;;15-5-;;;;;;;;;;;;;;;;;;;;;;;;;;;/t17-,19+,20-,21-,22+,24-,25+;13?,14-,15+,16-,17-,18-,19+,20-,21-,22-;14-,16+,17-,18-,19+,20-,21-,22-;12-,13+,14-,15-,16+,18-,19-,20+;11-,12+,13-,14-,15+,17-,18-,19+;12-,13+,14-,15-,16+,18-,19+;;;;;;;;;;;;;;;;;;;;;;;;/m111111......................../s1/i;;;;;;;;;;1D;;;;;;;;;;;;;;;;;;;
InChIKeyGPBSZLLMXOYQME-QPMHVOPDSA-N
MW3724.26 g/mol
LogP31.46
Rot. Bonds7

About deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)

deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) (PubChem CID 158323058) has the molecular formula C149H255N4O16PY15 and a molecular weight of 3724.26 g/mol. Its IUPAC name is deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium).

Molecular Properties

Compound Namedeuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)
PubChem CID158323058
Molecular FormulaC149H255N4O16PY15
Molecular Weight3724.26 g/mol
Exact Mass3722.49
IUPAC Namedeuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)
SMILESC.C.C.C.C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3C[C@@H](OC)[C@]12C.C1CCOC1.C1CCOC1.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCC(=O)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CC[C@H](C(C)O)[C@@]12C.CPC.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/Cc4ccccn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)C(=O)CC[C@@H]32)C1.NCc1ccccn1.[2H]CC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C25H36N2O.C22H38O3.C22H36O2.C20H32O3.C19H30O3.C19H30O2.C6H8N2.2C4H8O.C2H7P.C2H6.4CH4.15Y/c1-24(28)12-10-19-17(15-24)6-7-21-20(19)11-13-25(2)22(21)8-9-23(25)27-16-18-5-3-4-14-26-18;1-13(23)18-7-8-19-16-6-5-14-12-21(2,24)10-9-15(14)17(16)11-20(25-4)22(18,19)3;1-5-15-7-9-19-17-8-6-14-13-21(2,23)11-10-16(14)18(17)12-20(24-4)22(15,19)3;1-19(22)9-8-13-12(11-19)4-5-14-15(13)10-18(23-3)20(2)16(14)6-7-17(20)21;1-18(22)8-7-12-11(10-18)3-4-13-14(12)9-17(21)19(2)15(13)5-6-16(19)20;1-18(21)9-7-13-12(11-18)3-4-15-14(13)8-10-19(2)16(15)5-6-17(19)20;7-5-6-3-1-2-4-8-6;2*1-2-4-5-3-1;1-3-2;1-2;;;;;;;;;;;;;;;;;;;/h3-5,14,17,19-22,28H,6-13,15-16H2,1-2H3;13-20,23-24H,5-12H2,1-4H3;5,14,16-20,23H,6-13H2,1-4H3;12-16,18,22H,4-11H2,1-3H3;11-15,17,21-22H,3-10H2,1-2H3;12-16,21H,3-11H2,1-2H3;1-4H,5,7H2;2*1-4H2;3H,1-2H3;1-2H3;4*1H4;;;;;;;;;;;;;;;/b27-23+;;15-5-;;;;;;;;;;;;;;;;;;;;;;;;;;;/t17-,19+,20-,21-,22+,24-,25+;13?,14-,15+,16-,17-,18-,19+,20-,21-,22-;14-,16+,17-,18-,19+,20-,21-,22-;12-,13+,14-,15-,16+,18-,19-,20+;11-,12+,13-,14-,15+,17-,18-,19+;12-,13+,14-,15-,16+,18-,19+;;;;;;;;;;;;;;;;;;;;;;;;/m111111......................../s1/i;;;;;;;;;;1D;;;;;;;;;;;;;;;;;;;
InChIKeyGPBSZLLMXOYQME-QPMHVOPDSA-N
XLogP31.46
TPSA323.36 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003724.26
LogP ≤ 531.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)?
The IUPAC name of deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) (CID 158323058) is deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium).
What is the SMILES notation for deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)?
The canonical SMILES for deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) is C.C.C.C.C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3C[C@@H](OC)[C@]12C.C1CCOC1.C1CCOC1.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCC(=O)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CC[C@H](C(C)O)[C@@]12C.CPC.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/Cc4ccccn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)C(=O)CC[C@@H]32)C1.NCc1ccccn1.[2H]CC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)?
The InChIKey is GPBSZLLMXOYQME-QPMHVOPDSA-N. The full InChI is InChI=1S/C25H36N2O.C22H38O3.C22H36O2.C20H32O3.C19H30O3.C19H30O2.C6H8N2.2C4H8O.C2H7P.C2H6.4CH4.15Y/c1-24(28)12-10-19-17(15-24)6-7-21-20(19)11-13-25(2)22(21)8-9-23(25)27-16-18-5-3-4-14-26-18;1-13(23)18-7-8-19-16-6-5-14-12-21(2,24)10-9-15(14)17(16)11-20(25-4)22(18,19)3;1-5-15-7-9-19-17-8-6-14-13-21(2,23)11-10-16(14)18(17)12-20(24-4)22(15,19)3;1-19(22)9-8-13-12(11-19)4-5-14-15(13)10-18(23-3)20(2)16(14)6-7-17(20)21;1-18(22)8-7-12-11(10-18)3-4-13-14(12)9-17(21)19(2)15(13)5-6-16(19)20;1-18(21)9-7-13-12(11-18)3-4-15-14(13)8-10-19(2)16(15)5-6-17(19)20;7-5-6-3-1-2-4-8-6;2*1-2-4-5-3-1;1-3-2;1-2;;;;;;;;;;;;;;;;;;;/h3-5,14,17,19-22,28H,6-13,15-16H2,1-2H3;13-20,23-24H,5-12H2,1-4H3;5,14,16-20,23H,6-13H2,1-4H3;12-16,18,22H,4-11H2,1-3H3;11-15,17,21-22H,3-10H2,1-2H3;12-16,21H,3-11H2,1-2H3;1-4H,5,7H2;2*1-4H2;3H,1-2H3;1-2H3;4*1H4;;;;;;;;;;;;;;;/b27-23+;;15-5-;;;;;;;;;;;;;;;;;;;;;;;;;;;/t17-,19+,20-,21-,22+,24-,25+;13?,14-,15+,16-,17-,18-,19+,20-,21-,22-;14-,16+,17-,18-,19+,20-,21-,22-;12-,13+,14-,15-,16+,18-,19-,20+;11-,12+,13-,14-,15+,17-,18-,19+;12-,13+,14-,15-,16+,18-,19+;;;;;;;;;;;;;;;;;;;;;;;;/m111111......................../s1/i;;;;;;;;;;1D;;;;;;;;;;;;;;;;;;;.
What are the key properties of deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium)?
deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) has a molecular weight of 3724.26 g/mol, XLogP of 31.46, 7 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethane;(3R,5R,8R,9R,10S,12R,13R,14S)-3,12-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;dimethylphosphane;(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13S,14S,17Z)-17-ethylidene-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8R,9R,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-12-methoxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5R,8R,9R,10S,12R,13R,14S)-3-hydroxy-12-methoxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane;oxolane;pyridin-2-ylmethanamine;pentadecakis(yttrium) is sourced from PubChem (CID 158323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).