[10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate

C64H69NO11 — CID 163097225

About [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate

[10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate (PubChem CID 163097225) has the molecular formula C64H69NO11 and a molecular weight of 1028.25 g/mol. Its IUPAC name is [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate.

Molecular Properties

• Compound Name: [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate
• PubChem CID: 163097225
• Molecular Formula: C64H69NO11
• Molecular Weight: 1028.25 g/mol
• Exact Mass: 1027.49
• IUPAC Name: [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate
• SMILES: CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)OC4CC(OC(C)=O)C5Cc6cc(OC)c(O)cc6C6CC(O)C7Cc8cc(O)c(OC)cc8C(C4)C7C65C4=Cc5ccccc5CC4)cc23)c1
• InChI: InChI=1S/C64H69NO11/c1-5-74-19-9-18-65-35-38-10-8-13-41(20-38)49-29-46(67)24-42-15-14-37(21-48(42)49)22-62(71)76-47-30-52-50-33-61(73-4)57(69)27-43(50)25-53-56(68)34-54-51-32-58(70)60(72-3)28-44(51)26-55(59(31-47)75-36(2)66)64(54,63(52)53)45-17-16-39-11-6-7-12-40(39)23-45/h6-8,10-15,20-21,23-24,27-29,32-33,47,52-56,59,63,65,67-70H,5,9,16-19,22,25-26,30-31,34-35H2,1-4H3
• InChIKey: REXIATZGVBTQGB-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 173.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.25
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate?

The IUPAC name of [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate (CID 163097225) is [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate.

What is the SMILES notation for [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate?

The canonical SMILES for [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate is CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)OC4CC(OC(C)=O)C5Cc6cc(OC)c(O)cc6C6CC(O)C7Cc8cc(O)c(OC)cc8C(C4)C7C65C4=Cc5ccccc5CC4)cc23)c1.

What is the InChIKey of [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate?

The InChIKey is REXIATZGVBTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H69NO11/c1-5-74-19-9-18-65-35-38-10-8-13-41(20-38)49-29-46(67)24-42-15-14-37(21-48(42)49)22-62(71)76-47-30-52-50-33-61(73-4)57(69)27-43(50)25-53-56(68)34-54-51-32-58(70)60(72-3)28-44(51)26-55(59(31-47)75-36(2)66)64(54,63(52)53)45-17-16-39-11-6-7-12-40(39)23-45/h6-8,10-15,20-21,23-24,27-29,32-33,47,52-56,59,63,65,67-70H,5,9,16-19,22,25-26,30-31,34-35H2,1-4H3.

What are the key properties of [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate?

[10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate has a molecular weight of 1028.25 g/mol, XLogP of 10.65, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [10-acetyloxy-25-(3,4-dihydronaphthalen-2-yl)-4,18,23-trihydroxy-5,17-dimethoxy-12-hexacyclo[12.10.2.02,7.09,25.015,20.022,26]hexacosa-2,4,6,15,17,19-hexaenyl] 2-[8-[3-[(3-ethoxypropylamino)methyl]phenyl]-6-hydroxynaphthalen-2-yl]acetate is sourced from PubChem (CID 163097225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).