(23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione

C49H55N3O7 — CID 162793633

About (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione

(23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione (PubChem CID 162793633) has the molecular formula C49H55N3O7 and a molecular weight of 797.99 g/mol. Its IUPAC name is (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione.

Molecular Properties

• Compound Name: (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione
• PubChem CID: 162793633
• Molecular Formula: C49H55N3O7
• Molecular Weight: 797.99 g/mol
• Exact Mass: 797.40
• IUPAC Name: (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione
• SMILES: O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)Cc2cc[nH]c2NCC2=Cc3[nH]ccc3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@H]2C(=O)[C@H]1CCO
• InChI: InChI=1S/C49H55N3O7/c53-20-17-41-44(56)14-12-33-24-35(47(57)45(26-33)59-39-9-1-2-10-39)23-32-7-3-6-31(21-32)22-34-15-18-51-49(34)52-29-36-27-43-40(16-19-50-43)42(46(36)48(41)58)28-38(55)13-11-30-5-4-8-37(54)25-30/h3-8,15-16,18-19,21,24-27,38-39,41-42,46,50-55,57H,1-2,9-14,17,20,22-23,28-29H2/t38-,41+,42+,46+/m1/s1
• InChIKey: YRAAMERUMNXBFH-RNENTTHQSA-N
• XLogP: 7.93
• TPSA: 167.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.99
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	7
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 (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The IUPAC name of (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione (CID 162793633) is (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione.

What is the SMILES notation for (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The canonical SMILES for (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione is O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)Cc2cc[nH]c2NCC2=Cc3[nH]ccc3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@H]2C(=O)[C@H]1CCO.

What is the InChIKey of (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

The InChIKey is YRAAMERUMNXBFH-RNENTTHQSA-N. The full InChI is InChI=1S/C49H55N3O7/c53-20-17-41-44(56)14-12-33-24-35(47(57)45(26-33)59-39-9-1-2-10-39)23-32-7-3-6-31(21-32)22-34-15-18-51-49(34)52-29-36-27-43-40(16-19-50-43)42(46(36)48(41)58)28-38(55)13-11-30-5-4-8-37(54)25-30/h3-8,15-16,18-19,21,24-27,38-39,41-42,46,50-55,57H,1-2,9-14,17,20,22-23,28-29H2/t38-,41+,42+,46+/m1/s1.

What are the key properties of (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione?

(23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione has a molecular weight of 797.99 g/mol, XLogP of 7.93, 9 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (23R,24R,26S)-32-cyclopentyloxy-33-hydroxy-26-(2-hydroxyethyl)-23-[(2R)-2-hydroxy-4-(3-hydroxyphenyl)butyl]-12,14,19-triazahexacyclo[28.3.1.13,7.09,13.016,24.018,22]pentatriaconta-1(33),3,5,7(35),9(13),10,16,18(22),20,30(34),31-undecaene-25,27-dione is sourced from PubChem (CID 162793633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).