(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide

C43H59NO10 — CID 59713269

About (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide

(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide (PubChem CID 59713269) has the molecular formula C43H59NO10 and a molecular weight of 749.94 g/mol. Its IUPAC name is (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide.

Molecular Properties

• Compound Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide
• PubChem CID: 59713269
• Molecular Formula: C43H59NO10
• Molecular Weight: 749.94 g/mol
• Exact Mass: 749.41
• IUPAC Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide
• SMILES: CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O
• InChI: InChI=1S/C43H59NO10/c1-30(24-20-16-12-8-5-6-11-15-19-23-27-37(48)44-38-35(46)28-29-36(38)47)39(49)32(3)34(45)26-22-18-14-10-7-9-13-17-21-25-31(2)53-43-42(52)41(51)40(50)33(4)54-43/h5-11,13-15,17-24,26-27,30-34,39-43,45-46,49-52H,12,16,25,28-29H2,1-4H3,(H,44,48)/b8-5+,10-7+,11-6+,13-9+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+
• InChIKey: YMJVDOUZPYKBIK-OTDWQFIMSA-N
• XLogP: 5.19
• TPSA: 186.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	749.94
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide?

The IUPAC name of (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide (CID 59713269) is (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide.

What is the SMILES notation for (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide?

The canonical SMILES for (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide is CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.

What is the InChIKey of (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide?

The InChIKey is YMJVDOUZPYKBIK-OTDWQFIMSA-N. The full InChI is InChI=1S/C43H59NO10/c1-30(24-20-16-12-8-5-6-11-15-19-23-27-37(48)44-38-35(46)28-29-36(38)47)39(49)32(3)34(45)26-22-18-14-10-7-9-13-17-21-25-31(2)53-43-42(52)41(51)40(50)33(4)54-43/h5-11,13-15,17-24,26-27,30-34,39-43,45-46,49-52H,12,16,25,28-29H2,1-4H3,(H,44,48)/b8-5+,10-7+,11-6+,13-9+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+.

What are the key properties of (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide?

(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide has a molecular weight of 749.94 g/mol, XLogP of 5.19, 21 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide is sourced from PubChem (CID 59713269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).