lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol

C140H206LiN5O17 — CID 161033154

IUPAClithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol
SMILESC1CCOC1.CC1(C)O[C@H]2[C@H](O1)C1C(CC[C@@]3(C)[C@H]1CC[C@@]3(O)c1ccccn1)[C@@]1(C)CC[C@H](O)C[C@H]21.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C(O)C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccn1.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@H]1OC(C)(C)O[C@@H]1C1C3CCC(=O)[C@@]3(C)CC[C@@H]12.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.[Li+].[c-]1ccccn1
InChIInChI=1S/2C28H41NO3.C27H39NO4.C25H37NO3.C23H36O3.C5H4N.C4H8O.Li/c2*1-17-9-12-26(4)18-10-13-27(5)19(11-14-28(27,30)21-8-6-7-15-29-21)22(18)24-23(20(26)16-17)31-25(2,3)32-24;1-24(2)31-22-19-15-16(29)8-11-25(19,3)17-9-12-26(4)18(21(17)23(22)32-24)10-13-27(26,30)20-7-5-6-14-28-20;1-15-7-10-23(2)16-8-11-24(3)17(20(16)22(28)21(27)18(23)14-15)9-12-25(24,29)19-6-4-5-13-26-19;1-13-8-10-22(4)15-9-11-23(5)14(6-7-17(23)24)18(15)20-19(16(22)12-13)25-21(2,3)26-20;1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*6-8,15,17-20,22-24,30H,9-14,16H2,1-5H3;5-7,14,16-19,21-23,29-30H,8-13,15H2,1-4H3;4-6,13,15-18,20-22,27-29H,7-12,14H2,1-3H3;13-16,18-20H,6-12H2,1-5H3;1-4H;1-4H2;/q;;;;;-1;;+1/t2*17-,18?,19-,20+,22?,23+,24+,26+,27-,28+;16-,17?,18-,19+,21?,22+,23+,25+,26-,27+;15-,16-,17-,18+,20?,21+,22?,23+,24-,25+;13-,14?,15-,16+,18?,19+,20+,22+,23-;;;/m00000.../s1
InChIKeyMVEFFLSRYKTXES-WJSCPHLGSA-N
MW2238.15 g/mol
LogP23.33
Rot. Bonds4

About lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol

lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol (PubChem CID 161033154) has the molecular formula C140H206LiN5O17 and a molecular weight of 2238.15 g/mol. Its IUPAC name is lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol.

Molecular Properties

Compound Namelithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol
PubChem CID161033154
Molecular FormulaC140H206LiN5O17
Molecular Weight2238.15 g/mol
Exact Mass2236.56
IUPAC Namelithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol
SMILESC1CCOC1.CC1(C)O[C@H]2[C@H](O1)C1C(CC[C@@]3(C)[C@H]1CC[C@@]3(O)c1ccccn1)[C@@]1(C)CC[C@H](O)C[C@H]21.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C(O)C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccn1.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@H]1OC(C)(C)O[C@@H]1C1C3CCC(=O)[C@@]3(C)CC[C@@H]12.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.[Li+].[c-]1ccccn1
InChIInChI=1S/2C28H41NO3.C27H39NO4.C25H37NO3.C23H36O3.C5H4N.C4H8O.Li/c2*1-17-9-12-26(4)18-10-13-27(5)19(11-14-28(27,30)21-8-6-7-15-29-21)22(18)24-23(20(26)16-17)31-25(2,3)32-24;1-24(2)31-22-19-15-16(29)8-11-25(19,3)17-9-12-26(4)18(21(17)23(22)32-24)10-13-27(26,30)20-7-5-6-14-28-20;1-15-7-10-23(2)16-8-11-24(3)17(20(16)22(28)21(27)18(23)14-15)9-12-25(24,29)19-6-4-5-13-26-19;1-13-8-10-22(4)15-9-11-23(5)14(6-7-17(23)24)18(15)20-19(16(22)12-13)25-21(2,3)26-20;1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*6-8,15,17-20,22-24,30H,9-14,16H2,1-5H3;5-7,14,16-19,21-23,29-30H,8-13,15H2,1-4H3;4-6,13,15-18,20-22,27-29H,7-12,14H2,1-3H3;13-16,18-20H,6-12H2,1-5H3;1-4H;1-4H2;/q;;;;;-1;;+1/t2*17-,18?,19-,20+,22?,23+,24+,26+,27-,28+;16-,17?,18-,19+,21?,22+,23+,25+,26-,27+;15-,16-,17-,18+,20?,21+,22?,23+,24-,25+;13-,14?,15-,16+,18?,19+,20+,22+,23-;;;/m00000.../s1
InChIKeyMVEFFLSRYKTXES-WJSCPHLGSA-N
XLogP23.33
TPSA306.20 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002238.15
LogP ≤ 523.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol with MolForge

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Related Compounds

(1R,2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one
CID 157184373
(3S,5S,6R,7R,8R,9S,10R,13S,14S)-3,6,7-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 11782257
(6R)-4,4,12,16-tetramethyl-17-methylidene-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
CID 129044813
(1S,2R,10S,11R,12R,13R,14S,17S,18S)-2,18-dimethyl-17-pyridin-2-yl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-11,12,17-triol
CID 155773248
methyl (2E)-2-[(2R,6R,9S,12R,16S)-9-hydroxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ylidene]acetate
CID 58700679
(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-17-phenyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-17-ene
CID 130376997
(3R,6R,7R,10R,13S,17Z)-3-chloro-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7-diol;(2R,6R,9R,12R,16S,17Z)-9-chloro-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane
CID 159988918
[(3S,10R,13S)-6,7-dihydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] benzoate
CID 10202727
(3S,5S,6R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,7-triol
CID 130227125
(3S,5S,6R,7R,9S,10R,13S,14S)-10,13-dimethyl-17-phenyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triol
CID 118696638
(3R,5R,7R,8S,9R,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 125028379
1-[(1R,2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]ethanone
CID 160533938

Frequently Asked Questions

What is the IUPAC name of lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol?
The IUPAC name of lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol (CID 161033154) is lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol.
What is the SMILES notation for lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol?
The canonical SMILES for lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol is C1CCOC1.CC1(C)O[C@H]2[C@H](O1)C1C(CC[C@@]3(C)[C@H]1CC[C@@]3(O)c1ccccn1)[C@@]1(C)CC[C@H](O)C[C@H]21.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C(O)C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccn1.C[C@H]1CC[C@@]2(C)[C@H](C1)[C@H]1OC(C)(C)O[C@@H]1C1C3CCC(=O)[C@@]3(C)CC[C@@H]12.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.C[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@@]4(O)c4ccccn4)C3[C@H]3OC(C)(C)O[C@@H]3[C@H]2C1.[Li+].[c-]1ccccn1.
What is the InChIKey of lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol?
The InChIKey is MVEFFLSRYKTXES-WJSCPHLGSA-N. The full InChI is InChI=1S/2C28H41NO3.C27H39NO4.C25H37NO3.C23H36O3.C5H4N.C4H8O.Li/c2*1-17-9-12-26(4)18-10-13-27(5)19(11-14-28(27,30)21-8-6-7-15-29-21)22(18)24-23(20(26)16-17)31-25(2,3)32-24;1-24(2)31-22-19-15-16(29)8-11-25(19,3)17-9-12-26(4)18(21(17)23(22)32-24)10-13-27(26,30)20-7-5-6-14-28-20;1-15-7-10-23(2)16-8-11-24(3)17(20(16)22(28)21(27)18(23)14-15)9-12-25(24,29)19-6-4-5-13-26-19;1-13-8-10-22(4)15-9-11-23(5)14(6-7-17(23)24)18(15)20-19(16(22)12-13)25-21(2,3)26-20;1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*6-8,15,17-20,22-24,30H,9-14,16H2,1-5H3;5-7,14,16-19,21-23,29-30H,8-13,15H2,1-4H3;4-6,13,15-18,20-22,27-29H,7-12,14H2,1-3H3;13-16,18-20H,6-12H2,1-5H3;1-4H;1-4H2;/q;;;;;-1;;+1/t2*17-,18?,19-,20+,22?,23+,24+,26+,27-,28+;16-,17?,18-,19+,21?,22+,23+,25+,26-,27+;15-,16-,17-,18+,20?,21+,22?,23+,24-,25+;13-,14?,15-,16+,18?,19+,20+,22+,23-;;;/m00000.../s1.
What are the key properties of lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol?
lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol has a molecular weight of 2238.15 g/mol, XLogP of 23.33, 4 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;oxolane;(2R,6R,7S,9S,12R,13S,16S,20S)-4,4,9,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one;bis((2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,9,12,16-pentamethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol);2H-pyridin-2-ide;(2R,6R,7S,9S,12R,13S,16S,17S,20S)-4,4,12,16-tetramethyl-17-pyridin-2-yl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane-9,17-diol;(3S,5S,6R,7R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-17-pyridin-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7,17-triol is sourced from PubChem (CID 161033154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).