CID 160915338

C320H448Cl4O56S3Si6 — CID 160915338

IUPAC—
SMILESC.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(C(=O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CC(=O)O)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S(=O)(=O)c2ccccc2)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(c2ccccc2)C(O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CCC)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CCc2ccccc2)CC1=C.CCC[C@H]1CC[C@@H]2O[C@@H]3[C@@H](OC(CC=O)[C@@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](O)[C@H]2C.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](OCc1ccc(OC)cc1)[C@H]2C.CCC[C@H]1O[C@H]2[C@H](C)[C@@H](O)[C@H](CC(C)OC)O[C@H]2C[C@H]1C.COC(=O)C[C@@H]1OC2C[C@@H](C)[C@@H](CCO)O[C@H]2[C@H](C)[C@H]1OCc1ccc(OC)cc1.COc1ccc(CO[C@@H]2[C@@H](C)[C@@H]3O[C@H](CCO)[C@H](C)CC3O[C@H]2CC(C)OC)cc1.O=C(Cl)c1c(Cl)cc(Cl)cc1Cl.O=S=O.O=S=O.[2H][2H]
InChIInChI=1S/C69H90O7Si2.C68H84O11SSi2.C47H60O6Si2.C25H40O5.C24H38O6.C23H34O7.C22H30O.2C17H32O4.C7H2Cl4O.CH4.2O2S.H2/c1-12-29-52-41-43-61-63(72-52)67(76-78(69(9,10)11,56-36-25-17-26-37-56)57-38-27-18-28-39-57)66-65(73-61)64(75-77(68(6,7)8,54-32-21-15-22-33-54)55-34-23-16-24-35-55)62(74-66)47-59(70)58(51-30-19-14-20-31-51)46-53-45-50(5)60(71-53)42-40-49(4)44-48(3)13-2;1-11-46(2)41-47(3)37-39-57-48(4)42-50(74-57)43-60(80(72,73)51-27-17-12-18-28-51)56(69)45-59-63(78-81(67(5,6)7,52-29-19-13-20-30-52)53-31-21-14-22-32-53)64-65(77-59)66(62-58(76-64)40-38-49(75-62)44-61(70)71)79-82(68(8,9)10,54-33-23-15-24-34-54)55-35-25-16-26-36-55;1-8-21-34-30-31-39-41(49-34)45(53-55(47(5,6)7,37-26-17-11-18-27-37)38-28-19-12-20-29-38)44-43(50-39)42(40(51-44)32-33-48)52-54(46(2,3)4,35-22-13-9-14-23-35)36-24-15-10-16-25-36;1-7-8-21-16(2)13-22-25(30-21)18(4)24(23(29-22)14-17(3)26-5)28-15-19-9-11-20(27-6)12-10-19;1-15-12-21-24(30-20(15)10-11-25)17(3)23(22(29-21)13-16(2)26-4)28-14-18-6-8-19(27-5)9-7-18;1-14-11-19-23(30-18(14)9-10-24)15(2)22(20(29-19)12-21(25)27-4)28-13-16-5-7-17(26-3)8-6-16;1-5-17(2)15-18(3)11-14-22-19(4)16-21(23-22)13-12-20-9-7-6-8-10-20;2*1-6-7-13-10(2)8-15-17(21-13)12(4)16(18)14(20-15)9-11(3)19-5;8-3-1-4(9)6(7(11)12)5(10)2-3;;2*1-3-2;/h14-28,30-39,49,52-53,58-67,70H,2,5,12,29,40-47H2,1,3-4,6-11H3;12-36,47,49-50,57-60,62-66H,1,4,37-45H2,2-3,5-10H3,(H,70,71);9-20,22-29,33-34,39-45H,8,21,30-32H2,1-7H3;9-12,16-18,21-25H,7-8,13-15H2,1-6H3;6-9,15-17,20-25H,10-14H2,1-5H3;5-8,14-15,18-20,22-24H,9-13H2,1-4H3;6-10,18,21-22H,1,4,11-16H2,2-3H3;2*10-18H,6-9H2,1-5H3;1-2H;1H4;;;1H/t49-,52-,53+,58?,59?,60-,61-,62?,63-,64-,65-,66+,67-;47-,49+,50+,57-,58-,59?,60?,62-,63-,64-,65+,66-;34-,39-,40?,41-,42-,43-,44+,45-;16-,17?,18-,21-,22?,23+,24-,25+;15-,16?,17-,20-,21?,22+,23-,24+;14-,15-,18-,19?,20+,22-,23+;18-,21-,22-;10-,11?,12-,13-,14+,15?,16-,17+;10-,11?,12-,13-,14+,15+,16-,17+;;;;;/m000111011...../s1/i;;;;;;;;;;;;;1+1D
InChIKeySRICYQZCUZVBKX-UNSQZMODSA-N
MW5599.59 g/mol
LogP57.45
Rot. Bonds100

About CID 160915338

CID 160915338 (PubChem CID 160915338) has the molecular formula C320H448Cl4O56S3Si6 and a molecular weight of 5599.59 g/mol.

Molecular Properties

Compound NameCID 160915338
PubChem CID160915338
Molecular FormulaC320H448Cl4O56S3Si6
Molecular Weight5599.59 g/mol
Exact Mass5592.89
IUPAC Name—
SMILESC.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(C(=O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CC(=O)O)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S(=O)(=O)c2ccccc2)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(c2ccccc2)C(O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CCC)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CCc2ccccc2)CC1=C.CCC[C@H]1CC[C@@H]2O[C@@H]3[C@@H](OC(CC=O)[C@@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](O)[C@H]2C.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](OCc1ccc(OC)cc1)[C@H]2C.CCC[C@H]1O[C@H]2[C@H](C)[C@@H](O)[C@H](CC(C)OC)O[C@H]2C[C@H]1C.COC(=O)C[C@@H]1OC2C[C@@H](C)[C@@H](CCO)O[C@H]2[C@H](C)[C@H]1OCc1ccc(OC)cc1.COc1ccc(CO[C@@H]2[C@@H](C)[C@@H]3O[C@H](CCO)[C@H](C)CC3O[C@H]2CC(C)OC)cc1.O=C(Cl)c1c(Cl)cc(Cl)cc1Cl.O=S=O.O=S=O.[2H][2H]
InChIInChI=1S/C69H90O7Si2.C68H84O11SSi2.C47H60O6Si2.C25H40O5.C24H38O6.C23H34O7.C22H30O.2C17H32O4.C7H2Cl4O.CH4.2O2S.H2/c1-12-29-52-41-43-61-63(72-52)67(76-78(69(9,10)11,56-36-25-17-26-37-56)57-38-27-18-28-39-57)66-65(73-61)64(75-77(68(6,7)8,54-32-21-15-22-33-54)55-34-23-16-24-35-55)62(74-66)47-59(70)58(51-30-19-14-20-31-51)46-53-45-50(5)60(71-53)42-40-49(4)44-48(3)13-2;1-11-46(2)41-47(3)37-39-57-48(4)42-50(74-57)43-60(80(72,73)51-27-17-12-18-28-51)56(69)45-59-63(78-81(67(5,6)7,52-29-19-13-20-30-52)53-31-21-14-22-32-53)64-65(77-59)66(62-58(76-64)40-38-49(75-62)44-61(70)71)79-82(68(8,9)10,54-33-23-15-24-34-54)55-35-25-16-26-36-55;1-8-21-34-30-31-39-41(49-34)45(53-55(47(5,6)7,37-26-17-11-18-27-37)38-28-19-12-20-29-38)44-43(50-39)42(40(51-44)32-33-48)52-54(46(2,3)4,35-22-13-9-14-23-35)36-24-15-10-16-25-36;1-7-8-21-16(2)13-22-25(30-21)18(4)24(23(29-22)14-17(3)26-5)28-15-19-9-11-20(27-6)12-10-19;1-15-12-21-24(30-20(15)10-11-25)17(3)23(22(29-21)13-16(2)26-4)28-14-18-6-8-19(27-5)9-7-18;1-14-11-19-23(30-18(14)9-10-24)15(2)22(20(29-19)12-21(25)27-4)28-13-16-5-7-17(26-3)8-6-16;1-5-17(2)15-18(3)11-14-22-19(4)16-21(23-22)13-12-20-9-7-6-8-10-20;2*1-6-7-13-10(2)8-15-17(21-13)12(4)16(18)14(20-15)9-11(3)19-5;8-3-1-4(9)6(7(11)12)5(10)2-3;;2*1-3-2;/h14-28,30-39,49,52-53,58-67,70H,2,5,12,29,40-47H2,1,3-4,6-11H3;12-36,47,49-50,57-60,62-66H,1,4,37-45H2,2-3,5-10H3,(H,70,71);9-20,22-29,33-34,39-45H,8,21,30-32H2,1-7H3;9-12,16-18,21-25H,7-8,13-15H2,1-6H3;6-9,15-17,20-25H,10-14H2,1-5H3;5-8,14-15,18-20,22-24H,9-13H2,1-4H3;6-10,18,21-22H,1,4,11-16H2,2-3H3;2*10-18H,6-9H2,1-5H3;1-2H;1H4;;;1H/t49-,52-,53+,58?,59?,60-,61-,62?,63-,64-,65-,66+,67-;47-,49+,50+,57-,58-,59?,60?,62-,63-,64-,65+,66-;34-,39-,40?,41-,42-,43-,44+,45-;16-,17?,18-,21-,22?,23+,24-,25+;15-,16?,17-,20-,21?,22+,23-,24+;14-,15-,18-,19?,20+,22-,23+;18-,21-,22-;10-,11?,12-,13-,14+,15?,16-,17+;10-,11?,12-,13-,14+,15+,16-,17+;;;;;/m000111011...../s1/i;;;;;;;;;;;;;1+1D
InChIKeySRICYQZCUZVBKX-UNSQZMODSA-N
XLogP57.45
TPSA669.12 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds100
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005599.59
LogP ≤ 557.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

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Related Compounds

[(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(1S,3R,4S,7S,8S,9R,11R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[4-[(2S,5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-2-oxo-3-phenylbutyl]-8-methyl-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]acetate
CID 159192229
2-[(1S,3R,4S,5R,8S,9S,11R)-5-[3-(benzenesulfonyl)-4-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-2-oxobutyl]-4,8-bis[[tert-butyl(diphenyl)silyl]oxy]-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]acetic acid
CID 157322178
2-[(1S,3R,4S,7R,8S,9S,11R)-4,8-bis[[tert-butyl(diphenyl)silyl]oxy]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]acetaldehyde;1-[(1S,3R,4S,7R,8S,9S,11R)-4,8-bis[[tert-butyl(diphenyl)silyl]oxy]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]-3-[(2S,4R,5R)-2-(2,2-dimethoxyethyl)-4-methyl-5-[(2R)-2-methylbutyl]oxolan-3-yl]propan-2-one;[(3S)-1-[(5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl] 4-nitrobenzoate;[(3S)-5-methyl-1-[(5S)-3-methylidene-5-propyloxolan-2-yl]hepta-5,6-dien-3-yl] 4-nitrobenzoate;[(3S)-5-methyl-1-[(5S)-5-methyl-3-methylideneoxolan-2-yl]hepta-5,6-dien-3-yl] 4-nitrobenzoate
CID 160937100
(E,6S)-1-[(2S)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3-hydroxy-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]hept-4-en-3-one;(E,6S)-1-[(2S)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3-[(4-methoxyphenyl)methoxy]-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]hept-4-en-3-one;[(E,1S)-6-[(2S)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3-[(4-methoxyphenyl)methoxy]-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-1-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-4-methylhex-2-enoxy]-tert-butyl-dimethylsilane;methane
CID 159836492
methyl 2-[(1S,2S,4R,7S,9R,10S,12S,14S,16S)-12-[2-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-7-hydroxy-6-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]acetate
CID 44537548
2-[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 11083458
(E,6S)-1-[(2S,5S)-5-[2-[(4R,6R)-6-[[(3R,4R,4aS,6R,7R,8aS)-3-[(4-methoxyphenyl)methoxy]-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-6-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-ol;(E,6S)-1-[(2S,5S)-5-[2-[(4R,6R)-6-[[(3R,4R,4aS,6R,7R,8aS)-3-[(4-methoxyphenyl)methoxy]-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-6-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 158202725
(1S)-1-(benzenesulfonyl)-1-[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[(2R,4R,6S)-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-[(E)-3-prop-2-enoxyprop-1-enyl]oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]-3-[(1S,3R,4S,5R,7R,8S,9S,11R)-4,8-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(2-triethylsilyloxybut-3-enyl)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]propan-2-one
CID 131749843
3-[(2S,5S)-5-[2-[(4R)-6-[[(2S,3S,4R,5R)-3-[1-(benzenesulfonyl)-3-[(2R,3S,4R)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-2-oxopropyl]-4-methoxy-5-[(2R)-2-methylbutyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal
CID 58077781
(E,6S)-1-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]-6-[(2S,3R,4S,5S,6S)-6-but-3-enyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 140867305
3-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-1-[(2S,3R,4R,5R)-2-[[(2R,4S,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2R)-2-methylbutyl]oxolan-3-yl]-1-(4-ethylphenyl)sulfonylpropan-2-ol
CID 163514027
3-[(2S)-5-[2-[(2S)-6-[[(2S,3R,4R,4aS,6R)-3-[(4-methoxyphenyl)methoxy]-4,7-dimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-(propanoyloxymethyl)-3,6-dihydro-2H-pyran-2-yl]ethyl]-4-methylideneoxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 134472228

Frequently Asked Questions

What is the IUPAC name of CID 160915338?
The IUPAC name of CID 160915338 (CID 160915338) is not available.
What is the SMILES notation for CID 160915338?
The canonical SMILES for CID 160915338 is C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(C(=O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CC(=O)O)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S(=O)(=O)c2ccccc2)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CC(c2ccccc2)C(O)CC2O[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4O[C@@H](CCC)CC[C@@H]4O[C@H]3[C@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C.C=C=C(C)C[C@@H](C)CC[C@@H]1O[C@@H](CCc2ccccc2)CC1=C.CCC[C@H]1CC[C@@H]2O[C@@H]3[C@@H](OC(CC=O)[C@@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](O)[C@H]2C.CCC[C@H]1O[C@@H]2C(C[C@H]1C)O[C@@H](CC(C)OC)[C@H](OCc1ccc(OC)cc1)[C@H]2C.CCC[C@H]1O[C@H]2[C@H](C)[C@@H](O)[C@H](CC(C)OC)O[C@H]2C[C@H]1C.COC(=O)C[C@@H]1OC2C[C@@H](C)[C@@H](CCO)O[C@H]2[C@H](C)[C@H]1OCc1ccc(OC)cc1.COc1ccc(CO[C@@H]2[C@@H](C)[C@@H]3O[C@H](CCO)[C@H](C)CC3O[C@H]2CC(C)OC)cc1.O=C(Cl)c1c(Cl)cc(Cl)cc1Cl.O=S=O.O=S=O.[2H][2H].
What is the InChIKey of CID 160915338?
The InChIKey is SRICYQZCUZVBKX-UNSQZMODSA-N. The full InChI is InChI=1S/C69H90O7Si2.C68H84O11SSi2.C47H60O6Si2.C25H40O5.C24H38O6.C23H34O7.C22H30O.2C17H32O4.C7H2Cl4O.CH4.2O2S.H2/c1-12-29-52-41-43-61-63(72-52)67(76-78(69(9,10)11,56-36-25-17-26-37-56)57-38-27-18-28-39-57)66-65(73-61)64(75-77(68(6,7)8,54-32-21-15-22-33-54)55-34-23-16-24-35-55)62(74-66)47-59(70)58(51-30-19-14-20-31-51)46-53-45-50(5)60(71-53)42-40-49(4)44-48(3)13-2;1-11-46(2)41-47(3)37-39-57-48(4)42-50(74-57)43-60(80(72,73)51-27-17-12-18-28-51)56(69)45-59-63(78-81(67(5,6)7,52-29-19-13-20-30-52)53-31-21-14-22-32-53)64-65(77-59)66(62-58(76-64)40-38-49(75-62)44-61(70)71)79-82(68(8,9)10,54-33-23-15-24-34-54)55-35-25-16-26-36-55;1-8-21-34-30-31-39-41(49-34)45(53-55(47(5,6)7,37-26-17-11-18-27-37)38-28-19-12-20-29-38)44-43(50-39)42(40(51-44)32-33-48)52-54(46(2,3)4,35-22-13-9-14-23-35)36-24-15-10-16-25-36;1-7-8-21-16(2)13-22-25(30-21)18(4)24(23(29-22)14-17(3)26-5)28-15-19-9-11-20(27-6)12-10-19;1-15-12-21-24(30-20(15)10-11-25)17(3)23(22(29-21)13-16(2)26-4)28-14-18-6-8-19(27-5)9-7-18;1-14-11-19-23(30-18(14)9-10-24)15(2)22(20(29-19)12-21(25)27-4)28-13-16-5-7-17(26-3)8-6-16;1-5-17(2)15-18(3)11-14-22-19(4)16-21(23-22)13-12-20-9-7-6-8-10-20;2*1-6-7-13-10(2)8-15-17(21-13)12(4)16(18)14(20-15)9-11(3)19-5;8-3-1-4(9)6(7(11)12)5(10)2-3;;2*1-3-2;/h14-28,30-39,49,52-53,58-67,70H,2,5,12,29,40-47H2,1,3-4,6-11H3;12-36,47,49-50,57-60,62-66H,1,4,37-45H2,2-3,5-10H3,(H,70,71);9-20,22-29,33-34,39-45H,8,21,30-32H2,1-7H3;9-12,16-18,21-25H,7-8,13-15H2,1-6H3;6-9,15-17,20-25H,10-14H2,1-5H3;5-8,14-15,18-20,22-24H,9-13H2,1-4H3;6-10,18,21-22H,1,4,11-16H2,2-3H3;2*10-18H,6-9H2,1-5H3;1-2H;1H4;;;1H/t49-,52-,53+,58?,59?,60-,61-,62?,63-,64-,65-,66+,67-;47-,49+,50+,57-,58-,59?,60?,62-,63-,64-,65+,66-;34-,39-,40?,41-,42-,43-,44+,45-;16-,17?,18-,21-,22?,23+,24-,25+;15-,16?,17-,20-,21?,22+,23-,24+;14-,15-,18-,19?,20+,22-,23+;18-,21-,22-;10-,11?,12-,13-,14+,15?,16-,17+;10-,11?,12-,13-,14+,15+,16-,17+;;;;;/m000111011...../s1/i;;;;;;;;;;;;;1+1D.
What are the key properties of CID 160915338?
CID 160915338 has a molecular weight of 5599.59 g/mol, XLogP of 57.45, 100 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160915338 is sourced from PubChem (CID 160915338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).