[(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate

C155H282N4O26Si6 — CID 157434382

About [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate

[(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate (PubChem CID 157434382) has the molecular formula C155H282N4O26Si6 and a molecular weight of 2786.48 g/mol. Its IUPAC name is [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate
• PubChem CID: 157434382
• Molecular Formula: C155H282N4O26Si6
• Molecular Weight: 2786.48 g/mol
• Exact Mass: 2783.95
• IUPAC Name: [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate
• SMILES: C=C/C=C\C(C)C(OC(N)=O)C(C)C(O)C(C)C/C(C)=C\C(C)C(O)C(C)/C=C\C(O)CC1CCC(=O)O1.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\C=O.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\CCC(=O)CCC(=O)OCC.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\CCC(O)CCC(=O)OCC
• InChI: InChI=1S/C44H83NO7Si2.C44H81NO7Si2.C37H69NO5Si2.C30H49NO7/c2*1-19-21-24-33(5)40(50-42(45)48)36(8)41(52-54(17,18)44(12,13)14)35(7)30-31(3)29-34(6)39(51-53(15,16)43(9,10)11)32(4)25-22-23-26-37(46)27-28-38(47)49-20-2;1-18-19-21-28(4)33(41-35(38)40)31(7)34(43-45(16,17)37(11,12)13)30(6)25-26(2)24-29(5)32(27(3)22-20-23-39)42-44(14,15)36(8,9)10;1-8-9-10-20(4)29(38-30(31)36)23(7)28(35)22(6)16-18(2)15-21(5)27(34)19(3)11-12-24(32)17-25-13-14-26(33)37-25/h19,21-22,24-25,29,32-37,39-41,46H,1,20,23,26-28,30H2,2-18H3,(H2,45,48);19,21-22,24-25,29,32-36,39-41H,1,20,23,26-28,30H2,2-18H3,(H2,45,48);18-24,27-34H,1,25H2,2-17H3,(H2,38,40);8-12,15,19-25,27-29,32,34-35H,1,13-14,16-17H2,2-7H3,(H2,31,36)/b2*24-21-,25-22-,31-29-;21-19-,22-20-,26-24-;10-9-,12-11-,18-15-
• InChIKey: BQXPCRBZWIKLQH-VUZGLLMLSA-N
• XLogP: 37.96
• TPSA: 458.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 82
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.48
LogP ≤ 5	37.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The IUPAC name of [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate (CID 157434382) is [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate.

What is the SMILES notation for [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The canonical SMILES for [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate is C=C/C=C\C(C)C(OC(N)=O)C(C)C(O)C(C)C/C(C)=C\C(C)C(O)C(C)/C=C\C(O)CC1CCC(=O)O1.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\C=O.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\CCC(=O)CCC(=O)OCC.C=C/C=C\C(C)C(OC(N)=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C/C(C)=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\CCC(O)CCC(=O)OCC.

What is the InChIKey of [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The InChIKey is BQXPCRBZWIKLQH-VUZGLLMLSA-N. The full InChI is InChI=1S/C44H83NO7Si2.C44H81NO7Si2.C37H69NO5Si2.C30H49NO7/c2*1-19-21-24-33(5)40(50-42(45)48)36(8)41(52-54(17,18)44(12,13)14)35(7)30-31(3)29-34(6)39(51-53(15,16)43(9,10)11)32(4)25-22-23-26-37(46)27-28-38(47)49-20-2;1-18-19-21-28(4)33(41-35(38)40)31(7)34(43-45(16,17)37(11,12)13)30(6)25-26(2)24-29(5)32(27(3)22-20-23-39)42-44(14,15)36(8,9)10;1-8-9-10-20(4)29(38-30(31)36)23(7)28(35)22(6)16-18(2)15-21(5)27(34)19(3)11-12-24(32)17-25-13-14-26(33)37-25/h19,21-22,24-25,29,32-37,39-41,46H,1,20,23,26-28,30H2,2-18H3,(H2,45,48);19,21-22,24-25,29,32-36,39-41H,1,20,23,26-28,30H2,2-18H3,(H2,45,48);18-24,27-34H,1,25H2,2-17H3,(H2,38,40);8-12,15,19-25,27-29,32,34-35H,1,13-14,16-17H2,2-7H3,(H2,31,36)/b2*24-21-,25-22-,31-29-;21-19-,22-20-,26-24-;10-9-,12-11-,18-15-.

What are the key properties of [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate?

[(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate has a molecular weight of 2786.48 g/mol, XLogP of 37.96, 82 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,11Z,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-9,11,13,15,17,19-hexamethyl-4-oxotricosa-7,12,20,22-tetraenoate;ethyl (7Z,12Z,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-18-carbamoyloxy-4-hydroxy-9,11,13,15,17,19-hexamethyltricosa-7,12,20,22-tetraenoate;[(3Z,11Z,16Z)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate is sourced from PubChem (CID 157434382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).