32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione

C60H65N3O8 — CID 162797574

About 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione

32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione (PubChem CID 162797574) has the molecular formula C60H65N3O8 and a molecular weight of 956.19 g/mol. Its IUPAC name is 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione.

Molecular Properties

• Compound Name: 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione
• PubChem CID: 162797574
• Molecular Formula: C60H65N3O8
• Molecular Weight: 956.19 g/mol
• Exact Mass: 955.48
• IUPAC Name: 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione
• SMILES: O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CC(O)Cc3ccccc3)c(c2)Cc2cc[nH]c2NCC2=Cc3[nH]ccc3C(CC3(O)C=Cc4c(O)cccc4CC3)C2C(=O)C1CCO
• InChI: InChI=1S/C60H65N3O8/c64-26-21-50-54(67)16-14-39-29-44(57(68)55(31-39)71-47-10-4-5-11-47)28-38-13-15-41(33-46(65)30-37-7-2-1-3-8-37)43(27-38)32-42-19-24-62-59(42)63-36-45-34-52-49(20-25-61-52)51(56(45)58(50)69)35-60(70)22-17-40-9-6-12-53(66)48(40)18-23-60/h1-3,6-9,12-13,15,18-20,23-25,27,29,31,34,46-47,50-51,56,61-66,68,70H,4-5,10-11,14,16-17,21-22,26,28,30,32-33,35-36H2
• InChIKey: OGXRMLGGUKYLPP-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 188.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.19
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The IUPAC name of 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione (CID 162797574) is 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione.

What is the SMILES notation for 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The canonical SMILES for 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione is O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CC(O)Cc3ccccc3)c(c2)Cc2cc[nH]c2NCC2=Cc3[nH]ccc3C(CC3(O)C=Cc4c(O)cccc4CC3)C2C(=O)C1CCO.

What is the InChIKey of 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The InChIKey is OGXRMLGGUKYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N3O8/c64-26-21-50-54(67)16-14-39-29-44(57(68)55(31-39)71-47-10-4-5-11-47)28-38-13-15-41(33-46(65)30-37-7-2-1-3-8-37)43(27-38)32-42-19-24-62-59(42)63-36-45-34-52-49(20-25-61-52)51(56(45)58(50)69)35-60(70)22-17-40-9-6-12-53(66)48(40)18-23-60/h1-3,6-9,12-13,15,18-20,23-25,27,29,31,34,46-47,50-51,56,61-66,68,70H,4-5,10-11,14,16-17,21-22,26,28,30,32-33,35-36H2.

What are the key properties of 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione has a molecular weight of 956.19 g/mol, XLogP of 9.48, 10 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-(2-hydroxy-3-phenylpropyl)-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3(35),4,6,9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione is sourced from PubChem (CID 162797574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).