32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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

C64H69N3O8-2 — CID 162795013

About 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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 162795013) has the molecular formula C64H69N3O8-2 and a molecular weight of 1008.27 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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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: 162795013
• Molecular Formula: C64H69N3O8-2
• Molecular Weight: 1008.27 g/mol
• Exact Mass: 1007.51
• IUPAC Name: 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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(C3(C(O)Cc4ccccc4)CCCC3)c(c2)Cc2cc[nH]c2[N-]CC2=Cc3[n-]ccc3C(CC3(O)C=Cc4c(O)cccc4CC3)C2C(=O)C1CCO
• InChI: InChI=1S/C64H69N3O8/c68-30-23-51-56(70)18-16-42-33-46(60(72)57(34-42)75-48-12-4-5-13-48)32-41-15-17-53(64(24-6-7-25-64)58(71)35-40-9-2-1-3-10-40)45(31-41)36-44-21-28-66-62(44)67-39-47-37-54-50(22-29-65-54)52(59(47)61(51)73)38-63(74)26-19-43-11-8-14-55(69)49(43)20-27-63/h1-3,8-11,14-15,17,20-22,27-29,31,33-34,37,48,51-52,58-59,66,68-69,71-72,74H,4-7,12-13,16,18-19,23-26,30,32,35-36,38-39H2/q-2
• InChIKey: PSPSVMMLTHWORF-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 188.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.27
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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 162795013) is 32-cyclopentyloxy-23-[(4,7-dihydroxy-8,9-dihydrobenzo[7]annulen-7-yl)methyl]-33-hydroxy-26-(2-hydroxyethyl)-6-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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(C3(C(O)Cc4ccccc4)CCCC3)c(c2)Cc2cc[nH]c2[N-]CC2=Cc3[n-]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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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 PSPSVMMLTHWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H69N3O8/c68-30-23-51-56(70)18-16-42-33-46(60(72)57(34-42)75-48-12-4-5-13-48)32-41-15-17-53(64(24-6-7-25-64)58(71)35-40-9-2-1-3-10-40)45(31-41)36-44-21-28-66-62(44)67-39-47-37-54-50(22-29-65-54)52(59(47)61(51)73)38-63(74)26-19-43-11-8-14-55(69)49(43)20-27-63/h1-3,8-11,14-15,17,20-22,27-29,31,33-34,37,48,51-52,58-59,66,68-69,71-72,74H,4-7,12-13,16,18-19,23-26,30,32,35-36,38-39H2/q-2.

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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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 1008.27 g/mol, XLogP of 10.97, 10 rotatable bonds, 6 hydrogen bond donors, and 8 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-[1-(1-hydroxy-2-phenylethyl)cyclopentyl]-12-aza-14,19-diazanidahexacyclo[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 162795013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).