2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid

C41H65NO11 — CID 88876342

About 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid

2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid (PubChem CID 88876342) has the molecular formula C41H65NO11 and a molecular weight of 747.97 g/mol. Its IUPAC name is 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid.

Molecular Properties

• Compound Name: 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid
• PubChem CID: 88876342
• Molecular Formula: C41H65NO11
• Molecular Weight: 747.97 g/mol
• Exact Mass: 747.46
• IUPAC Name: 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid
• SMILES: C/C=C/C(O)C(C)/C=C/C(=N/OCC(=O)O)C(C)C(O)C(C)C1OC(=O)/C(OC)=C/C(C)=C/C(C)C(O)C(CC)C(O)C(C)C/C(C)=C/C=C/C1OC
• InChI: InChI=1S/C41H65NO11/c1-12-15-33(43)26(5)18-19-32(42-52-23-36(44)45)29(8)39(48)30(9)40-34(50-10)17-14-16-24(3)20-27(6)37(46)31(13-2)38(47)28(7)21-25(4)22-35(51-11)41(49)53-40/h12,14-19,21-22,26-31,33-34,37-40,43,46-48H,13,20,23H2,1-11H3,(H,44,45)/b15-12+,17-14+,19-18+,24-16+,25-21+,35-22-,42-32-
• InChIKey: ZTJUYRRLFGFSBD-JVMSZSMDSA-N
• XLogP: 5.54
• TPSA: 184.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.97
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid?

The IUPAC name of 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid (CID 88876342) is 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid.

What is the SMILES notation for 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid?

The canonical SMILES for 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid is C/C=C/C(O)C(C)/C=C/C(=N/OCC(=O)O)C(C)C(O)C(C)C1OC(=O)/C(OC)=C/C(C)=C/C(C)C(O)C(CC)C(O)C(C)C/C(C)=C/C=C/C1OC.

What is the InChIKey of 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid?

The InChIKey is ZTJUYRRLFGFSBD-JVMSZSMDSA-N. The full InChI is InChI=1S/C41H65NO11/c1-12-15-33(43)26(5)18-19-32(42-52-23-36(44)45)29(8)39(48)30(9)40-34(50-10)17-14-16-24(3)20-27(6)37(46)31(13-2)38(47)28(7)21-25(4)22-35(51-11)41(49)53-40/h12,14-19,21-22,26-31,33-34,37-40,43,46-48H,13,20,23H2,1-11H3,(H,44,45)/b15-12+,17-14+,19-18+,24-16+,25-21+,35-22-,42-32-.

What are the key properties of 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid?

2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid has a molecular weight of 747.97 g/mol, XLogP of 5.54, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[(6E,10E)-2-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3,9-dihydroxy-4,8-dimethyldodeca-6,10-dien-5-ylidene]amino]oxyacetic acid is sourced from PubChem (CID 88876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).