tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate

C43H63NO9Si — CID 91213141

About tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate

tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate (PubChem CID 91213141) has the molecular formula C43H63NO9Si and a molecular weight of 766.06 g/mol. Its IUPAC name is tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate
• PubChem CID: 91213141
• Molecular Formula: C43H63NO9Si
• Molecular Weight: 766.06 g/mol
• Exact Mass: 765.43
• IUPAC Name: tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate
• SMILES: CCN(C(=O)OC(C)(C)C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C(=O)O[C@@H](C)[C@H](C)C=CC(OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1CC=C2
• InChI: InChI=1S/C43H63NO9Si/c1-15-44(40(46)52-41(4,5)6)32-25-31-17-16-18-35-38(51-43(10,11)50-35)34(48-27-30-20-22-33(47-12)23-21-30)24-19-28(2)29(3)49-39(45)37(31)36(26-32)53-54(13,14)42(7,8)9/h16-17,19-26,28-29,34-35,38H,15,18,27H2,1-14H3/t28-,29+,34?,35+,38-/m1/s1
• InChIKey: CCPASAKRRCGNDU-AOMZSEFOSA-N
• XLogP: 10.10
• TPSA: 101.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.06
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate?

The IUPAC name of tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate (CID 91213141) is tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate.

What is the SMILES notation for tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate?

The canonical SMILES for tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C(=O)O[C@@H](C)[C@H](C)C=CC(OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1CC=C2.

What is the InChIKey of tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate?

The InChIKey is CCPASAKRRCGNDU-AOMZSEFOSA-N. The full InChI is InChI=1S/C43H63NO9Si/c1-15-44(40(46)52-41(4,5)6)32-25-31-17-16-18-35-38(51-43(10,11)50-35)34(48-27-30-20-22-33(47-12)23-21-30)24-19-28(2)29(3)49-39(45)37(31)36(26-32)53-54(13,14)42(7,8)9/h16-17,19-26,28-29,34-35,38H,15,18,27H2,1-14H3/t28-,29+,34?,35+,38-/m1/s1.

What are the key properties of tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate?

tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate has a molecular weight of 766.06 g/mol, XLogP of 10.10, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5S,9S,13R,14S)-18-[tert-butyl(dimethyl)silyl]oxy-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-ethylcarbamate is sourced from PubChem (CID 91213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).