tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane

C161H220N2O26Si4 — CID 158072399

About tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane

tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane (PubChem CID 158072399) has the molecular formula C161H220N2O26Si4 and a molecular weight of 2711.86 g/mol. Its IUPAC name is tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane.

Molecular Properties

• Compound Name: tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane
• PubChem CID: 158072399
• Molecular Formula: C161H220N2O26Si4
• Molecular Weight: 2711.86 g/mol
• Exact Mass: 2709.50
• IUPAC Name: tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane
• SMILES: C.C=C1CC2/C=C/C(=O)C[C@H]3O[C@H]4[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@H]5O[C@H](CC[C@@H]5O[C@H]4[C@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)CC3[C@H](CC4O[C@@H](CCC1O2)C[C@@H](C)C4=C)O[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)[C@@H]3C.C=C1CC2/C=C/C(O)C[C@H]3O[C@H]4[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@H]5O[C@H](CC[C@@H]5O[C@H]4[C@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)CC3[C@H](CC4O[C@@H](CCC1O2)C[C@@H](C)C4=C)O[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)[C@@H]3C
• InChI: InChI=1S/C80H109NO13Si2.C80H107NO13Si2.CH4/c2*1-50-42-57-38-40-65-51(2)43-56(85-65)37-36-54(82)46-70-72(93-95(78(8,9)10,60-28-20-16-21-29-60)61-30-22-17-23-31-61)73-74(90-70)75(94-96(79(11,12)13,62-32-24-18-25-33-62)63-34-26-19-27-35-63)71-66(89-73)41-39-58(87-71)44-55(83)45-64-53(4)67(88-69(64)48-68(86-57)52(50)3)47-59-49-81(80(14,15)91-59)76(84)92-77(5,6)7;/h16-37,50,53-54,56-59,64-75,82H,2-3,38-49H2,1,4-15H3;16-37,50,53,56-59,64-75H,2-3,38-49H2,1,4-15H3;1H4/b2*37-36+;/t50-,53-,54?,56?,57+,58-,59+,64?,65?,66+,67-,68?,69+,70-,71+,72+,73+,74-,75+;50-,53-,56?,57+,58-,59+,64?,65?,66+,67-,68?,69+,70-,71+,72+,73+,74-,75+;/m11./s1
• InChIKey: FLZADDDLSYZNCX-HOYBEWKRSA-N
• XLogP: 26.13
• TPSA: 296.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.86
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane?

The IUPAC name of tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane (CID 158072399) is tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane.

What is the SMILES notation for tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane?

The canonical SMILES for tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane is C.C=C1CC2/C=C/C(=O)C[C@H]3O[C@H]4[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@H]5O[C@H](CC[C@@H]5O[C@H]4[C@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)CC3[C@H](CC4O[C@@H](CCC1O2)C[C@@H](C)C4=C)O[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)[C@@H]3C.C=C1CC2/C=C/C(O)C[C@H]3O[C@H]4[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@H]5O[C@H](CC[C@@H]5O[C@H]4[C@H]3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)CC3[C@H](CC4O[C@@H](CCC1O2)C[C@@H](C)C4=C)O[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)[C@@H]3C.

What is the InChIKey of tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane?

The InChIKey is FLZADDDLSYZNCX-HOYBEWKRSA-N. The full InChI is InChI=1S/C80H109NO13Si2.C80H107NO13Si2.CH4/c2*1-50-42-57-38-40-65-51(2)43-56(85-65)37-36-54(82)46-70-72(93-95(78(8,9)10,60-28-20-16-21-29-60)61-30-22-17-23-31-61)73-74(90-70)75(94-96(79(11,12)13,62-32-24-18-25-33-62)63-34-26-19-27-35-63)71-66(89-73)41-39-58(87-71)44-55(83)45-64-53(4)67(88-69(64)48-68(86-57)52(50)3)47-59-49-81(80(14,15)91-59)76(84)92-77(5,6)7;/h16-37,50,53-54,56-59,64-75,82H,2-3,38-49H2,1,4-15H3;16-37,50,53,56-59,64-75H,2-3,38-49H2,1,4-15H3;1H4/b2*37-36+;/t50-,53-,54?,56?,57+,58-,59+,64?,65?,66+,67-,68?,69+,70-,71+,72+,73+,74-,75+;50-,53-,56?,57+,58-,59+,64?,65?,66+,67-,68?,69+,70-,71+,72+,73+,74-,75+;/m11./s1.

What are the key properties of tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane?

tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane has a molecular weight of 2711.86 g/mol, XLogP of 26.13, 20 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-19,26-dimethyl-13,20-dimethylidene-8,29-dioxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (5S)-5-[[(1S,2S,3R,4R,5S,6R,9E,17S,19R,23S,25R,26R,31R,34S)-2,5-bis[[tert-butyl(diphenyl)silyl]oxy]-8-hydroxy-19,26-dimethyl-13,20-dimethylidene-29-oxo-24,35,36,37,38,39-hexaoxaheptacyclo[29.3.1.13,6.14,34.111,14.117,21.023,27]nonatriacont-9-en-25-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;methane is sourced from PubChem (CID 158072399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).