ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate

C40H54N2O7Si — CID 159132200

About ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate

ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate (PubChem CID 159132200) has the molecular formula C40H54N2O7Si and a molecular weight of 702.97 g/mol. Its IUPAC name is ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate.

Molecular Properties

• Compound Name: ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate
• PubChem CID: 159132200
• Molecular Formula: C40H54N2O7Si
• Molecular Weight: 702.97 g/mol
• Exact Mass: 702.37
• IUPAC Name: ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate
• SMILES: CCOC(=O)[C@]12CC(=O)[C@@H]3CC4(CC(=O)c5c(c(C)nc6ccc(O[Si](C)(C)C(C)(C)C)cc56)O4)CN3C(=O)[C@@H](C)CCCCC/C=C\[C@@H]1C2
• InChI: InChI=1S/C40H54N2O7Si/c1-9-47-37(46)40-20-27(40)16-14-12-10-11-13-15-25(2)36(45)42-24-39(21-31(42)32(43)23-40)22-33(44)34-29-19-28(49-50(7,8)38(4,5)6)17-18-30(29)41-26(3)35(34)48-39/h14,16-19,25,27,31H,9-13,15,20-24H2,1-8H3/b16-14-/t25-,27+,31-,39?,40+/m0/s1
• InChIKey: WQSVJXQAALEMTL-NEZOLEEQSA-N
• XLogP: 7.92
• TPSA: 112.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.97
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate?

The IUPAC name of ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate (CID 159132200) is ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate.

What is the SMILES notation for ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate?

The canonical SMILES for ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate is CCOC(=O)[C@]12CC(=O)[C@@H]3CC4(CC(=O)c5c(c(C)nc6ccc(O[Si](C)(C)C(C)(C)C)cc56)O4)CN3C(=O)[C@@H](C)CCCCC/C=C\[C@@H]1C2.

What is the InChIKey of ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate?

The InChIKey is WQSVJXQAALEMTL-NEZOLEEQSA-N. The full InChI is InChI=1S/C40H54N2O7Si/c1-9-47-37(46)40-20-27(40)16-14-12-10-11-13-15-25(2)36(45)42-24-39(21-31(42)32(43)23-40)22-33(44)34-29-19-28(49-50(7,8)38(4,5)6)17-18-30(29)41-26(3)35(34)48-39/h14,16-19,25,27,31H,9-13,15,20-24H2,1-8H3/b16-14-/t25-,27+,31-,39?,40+/m0/s1.

What are the key properties of ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate?

ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate has a molecular weight of 702.97 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1S,4R,6S,7Z,14S)-9'-[tert-butyl(dimethyl)silyl]oxy-5',14-dimethyl-1',2,15-trioxospiro[16-azatricyclo[14.3.0.04,6]nonadec-7-ene-18,3'-2H-pyrano[2,3-c]quinoline]-4-carboxylate is sourced from PubChem (CID 159132200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).