15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

C40H63NO10 — CID 74089739

About 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione (PubChem CID 74089739) has the molecular formula C40H63NO10 and a molecular weight of 717.94 g/mol. Its IUPAC name is 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione.

Molecular Properties

• Compound Name: 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
• PubChem CID: 74089739
• Molecular Formula: C40H63NO10
• Molecular Weight: 717.94 g/mol
• Exact Mass: 717.45
• IUPAC Name: 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
• SMILES: CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5O)CC43)C2CC(=O)O1
• InChI: InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3
• InChIKey: IOCQRADVOJDJIS-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 122.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.94
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The IUPAC name of 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione (CID 74089739) is 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione.

What is the SMILES notation for 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The canonical SMILES for 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione is CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5O)CC43)C2CC(=O)O1.

What is the InChIKey of 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The InChIKey is IOCQRADVOJDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3.

What are the key properties of 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione has a molecular weight of 717.94 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione is sourced from PubChem (CID 74089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).