[(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane

C34H50N2O10 — CID 143420147

About [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane

[(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane (PubChem CID 143420147) has the molecular formula C34H50N2O10 and a molecular weight of 646.78 g/mol. Its IUPAC name is [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane.

Molecular Properties

• Compound Name: [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane
• PubChem CID: 143420147
• Molecular Formula: C34H50N2O10
• Molecular Weight: 646.78 g/mol
• Exact Mass: 646.35
• IUPAC Name: [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane
• SMILES: CC.COC1CC(C)C(OC)c2cc(OC=O)cc(c2OC=O)NC(=O)/C(C)=C/C=C\C(C)C(OC(N)=O)/C(C)=C/C(C)C1OC
• InChI: InChI=1S/C32H44N2O10.C2H6/c1-18-10-9-11-19(2)31(37)34-25-15-23(42-16-35)14-24(30(25)43-17-36)28(40-7)22(5)13-26(39-6)29(41-8)21(4)12-20(3)27(18)44-32(33)38;1-2/h9-12,14-18,21-22,26-29H,13H2,1-8H3,(H2,33,38)(H,34,37);1-2H3/b10-9-,19-11+,20-12+
• InChIKey: PXBLDQXEGMRCBF-KTYQRIKFSA-N
• XLogP: 5.66
• TPSA: 161.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.78
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane?

The IUPAC name of [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane (CID 143420147) is [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane.

What is the SMILES notation for [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane?

The canonical SMILES for [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane is CC.COC1CC(C)C(OC)c2cc(OC=O)cc(c2OC=O)NC(=O)/C(C)=C/C=C\C(C)C(OC(N)=O)/C(C)=C/C(C)C1OC.

What is the InChIKey of [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane?

The InChIKey is PXBLDQXEGMRCBF-KTYQRIKFSA-N. The full InChI is InChI=1S/C32H44N2O10.C2H6/c1-18-10-9-11-19(2)31(37)34-25-15-23(42-16-35)14-24(30(25)43-17-36)28(40-7)22(5)13-26(39-6)29(41-8)21(4)12-20(3)27(18)44-32(33)38;1-2/h9-12,14-18,21-22,26-29H,13H2,1-8H3,(H2,33,38)(H,34,37);1-2H3/b10-9-,19-11+,20-12+;.

What are the key properties of [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane?

[(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane has a molecular weight of 646.78 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(4E,6Z,10E)-9-carbamoyloxy-22-formyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] formate;ethane is sourced from PubChem (CID 143420147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).