sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium

C181H308Cl8INaO54Zr — CID 159875910

About sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium

sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium (PubChem CID 159875910) has the molecular formula C181H308Cl8INaO54Zr and a molecular weight of 3873.14 g/mol. Its IUPAC name is sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium.

Molecular Properties

• Compound Name: sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium
• PubChem CID: 159875910
• Molecular Formula: C181H308Cl8INaO54Zr
• Molecular Weight: 3873.14 g/mol
• Exact Mass: 3865.69
• IUPAC Name: sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium
• SMILES: C.C.CC(=O)O[C@@H]([C@H]1C[C@@H](C)C2=C(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O.CI.COCCl.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](O)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](OC(C)=O)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](OC)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.ClC(Cl)Cl.Cl[Zr](Cl)(Cl)Cl.[H-].[Na+]
• InChI: InChI=1S/C47H78O15.C46H78O14.C45H76O14.C37H58O10.C2H5ClO.CHCl3.CH3I.2CH4.4ClH.Na.Zr.H/c1-28-20-30(39(60-29(2)48)43(5,6)59-27-53-13)61-37-35(28)44(7)18-19-47-22-46(47)17-16-34(42(3,4)32(46)14-15-33(47)45(44,8)40(37)58-26-52-12)62-41-38(57-25-51-11)36(56-24-50-10)31(21-54-41)55-23-49-9;1-28-20-29(38(52-13)42(4,5)58-27-51-12)59-36-34(28)43(6)18-19-46-22-45(46)17-16-33(41(2,3)31(45)14-15-32(46)44(43,7)39(36)57-26-50-11)60-40-37(56-25-49-10)35(55-24-48-9)30(21-53-40)54-23-47-8;1-27-19-28(37(46)41(4,5)57-26-51-12)58-35-33(27)42(6)17-18-45-21-44(45)16-15-32(40(2,3)30(44)13-14-31(45)43(42,7)38(35)56-25-50-11)59-39-36(55-24-49-10)34(54-23-48-9)29(20-52-39)53-22-47-8;1-18-15-21(30(33(5,6)43)45-19(2)38)46-28-25(18)34(7)13-14-37-17-36(37)12-11-24(47-31-27(41)26(40)20(39)16-44-31)32(3,4)22(36)9-10-23(37)35(34,8)29(28)42;1-4-2-3;2-1(3)4;1-2;;;;;;;;;/h28,30-34,36,38-41H,14-27H2,1-13H3;28-33,35,37-40H,14-27H2,1-13H3;27-32,34,36-39,46H,13-26H2,1-12H3;18,20-24,26-27,29-31,39-43H,9-17H2,1-8H3;2H2,1H3;1H;1H3;2*1H4;4*1H;;;/q;;;;;;;;;;;;;+1;+4;-1/p-4/t28-,30-,31-,32+,33+,34+,36+,38-,39+,40+,41+,44-,45-,46-,47+;28-,29-,30-,31+,32+,33+,35+,37-,38+,39+,40+,43-,44-,45-,46+;27-,28-,29-,30+,31+,32+,34+,36-,37+,38+,39+,42-,43-,44-,45+;18-,20-,21-,22+,23+,24+,26+,27-,29+,30+,31+,34-,35-,36-,37+;;;;;;;;;;;;/m1111............/s1
• InChIKey: HMMOQOGBPVSDCG-LCVKWOPOSA-J
• XLogP: 28.33
• TPSA: 580.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Rotatable Bonds: 65
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3873.14
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium?

The IUPAC name of sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium (CID 159875910) is sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium.

What is the SMILES notation for sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium?

The canonical SMILES for sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium is C.C.CC(=O)O[C@@H]([C@H]1C[C@@H](C)C2=C(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O.CI.COCCl.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](O)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](OC(C)=O)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.COCO[C@@H]1[C@@H](OCOC)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)C6=C(O[C@@H]([C@H](OC)C(C)(C)OCOC)C[C@H]6C)[C@H](OCOC)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OCOC.ClC(Cl)Cl.Cl[Zr](Cl)(Cl)Cl.[H-].[Na+].

What is the InChIKey of sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium?

The InChIKey is HMMOQOGBPVSDCG-LCVKWOPOSA-J. The full InChI is InChI=1S/C47H78O15.C46H78O14.C45H76O14.C37H58O10.C2H5ClO.CHCl3.CH3I.2CH4.4ClH.Na.Zr.H/c1-28-20-30(39(60-29(2)48)43(5,6)59-27-53-13)61-37-35(28)44(7)18-19-47-22-46(47)17-16-34(42(3,4)32(46)14-15-33(47)45(44,8)40(37)58-26-52-12)62-41-38(57-25-51-11)36(56-24-50-10)31(21-54-41)55-23-49-9;1-28-20-29(38(52-13)42(4,5)58-27-51-12)59-36-34(28)43(6)18-19-46-22-45(46)17-16-33(41(2,3)31(45)14-15-32(46)44(43,7)39(36)57-26-50-11)60-40-37(56-25-49-10)35(55-24-48-9)30(21-53-40)54-23-47-8;1-27-19-28(37(46)41(4,5)57-26-51-12)58-35-33(27)42(6)17-18-45-21-44(45)16-15-32(40(2,3)30(44)13-14-31(45)43(42,7)38(35)56-25-50-11)59-39-36(55-24-49-10)34(54-23-48-9)29(20-52-39)53-22-47-8;1-18-15-21(30(33(5,6)43)45-19(2)38)46-28-25(18)34(7)13-14-37-17-36(37)12-11-24(47-31-27(41)26(40)20(39)16-44-31)32(3,4)22(36)9-10-23(37)35(34,8)29(28)42;1-4-2-3;2-1(3)4;1-2;;;;;;;;;/h28,30-34,36,38-41H,14-27H2,1-13H3;28-33,35,37-40H,14-27H2,1-13H3;27-32,34,36-39,46H,13-26H2,1-12H3;18,20-24,26-27,29-31,39-43H,9-17H2,1-8H3;2H2,1H3;1H;1H3;2*1H4;4*1H;;;/q;;;;;;;;;;;;;+1;+4;-1/p-4/t28-,30-,31-,32+,33+,34+,36+,38-,39+,40+,41+,44-,45-,46-,47+;28-,29-,30-,31+,32+,33+,35+,37-,38+,39+,40+,43-,44-,45-,46+;27-,28-,29-,30+,31+,32+,34+,36-,37+,38+,39+,42-,43-,44-,45+;18-,20-,21-,22+,23+,24+,26+,27-,29+,30+,31+,34-,35-,36-,37+;;;;;;;;;;;;/m1111............/s1.

What are the key properties of sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium?

sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium has a molecular weight of 3873.14 g/mol, XLogP of 28.33, 65 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;chloroform;chloro(methoxy)methane;hydride;[(1S)-2-hydroxy-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-hydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;iodomethane;methane;(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-8-[(1S)-1-methoxy-2-(methoxymethoxy)-2-methylpropyl]-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene;(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropan-1-ol;[(1S)-2-(methoxymethoxy)-1-[(1S,4S,6R,8R,11R,12S,13R,16R,18S,21R)-11-(methoxymethoxy)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-tris(methoxymethoxy)oxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-8-yl]-2-methylpropyl] acetate;tetrachlorozirconium is sourced from PubChem (CID 159875910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).