(4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone

C28H42N2O8 — CID 16758305

About (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone

(4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone (PubChem CID 16758305) has the molecular formula C28H42N2O8 and a molecular weight of 534.65 g/mol. Its IUPAC name is (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone.

Molecular Properties

• Compound Name: (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone
• PubChem CID: 16758305
• Molecular Formula: C28H42N2O8
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.29
• IUPAC Name: (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone
• SMILES: CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
• InChI: InChI=1S/C28H42N2O8/c1-19-9-5-13-25(31)29-15-8-12-22(29)28(34)38-18-24(36-4)20(2)10-6-14-26(32)30-16-7-11-21(30)27(33)37-17-23(19)35-3/h5-6,9-10,19-24H,7-8,11-18H2,1-4H3/b9-5-,10-6-/t19-,20-,21-,22-,23-,24-/m1/s1
• InChIKey: KNMMSRXSBJUKBY-HOPMSOHBSA-N
• XLogP: 2.26
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone?

The IUPAC name of (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone (CID 16758305) is (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone.

What is the SMILES notation for (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone?

The canonical SMILES for (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone is CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C.

What is the InChIKey of (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone?

The InChIKey is KNMMSRXSBJUKBY-HOPMSOHBSA-N. The full InChI is InChI=1S/C28H42N2O8/c1-19-9-5-13-25(31)29-15-8-12-22(29)28(34)38-18-24(36-4)20(2)10-6-14-26(32)30-16-7-11-21(30)27(33)37-17-23(19)35-3/h5-6,9-10,19-24H,7-8,11-18H2,1-4H3/b9-5-,10-6-/t19-,20-,21-,22-,23-,24-/m1/s1.

What are the key properties of (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone?

(4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone has a molecular weight of 534.65 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,6R,7S,11R,18Z,20R,21S,25R)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone is sourced from PubChem (CID 16758305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).