(16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione

C28H37ClN2O6 — CID 167189190

About (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione

(16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione (PubChem CID 167189190) has the molecular formula C28H37ClN2O6 and a molecular weight of 533.07 g/mol. Its IUPAC name is (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione.

Molecular Properties

• Compound Name: (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione
• PubChem CID: 167189190
• Molecular Formula: C28H37ClN2O6
• Molecular Weight: 533.07 g/mol
• Exact Mass: 532.23
• IUPAC Name: (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione
• SMILES: COC1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)CC(O)C2(C)OC2CC2(C)C[C@H]1NC(=O)O2
• InChI: InChI=1S/C28H37ClN2O6/c1-16-8-7-9-21(35-6)19-14-27(3,37-26(34)30-19)15-23-28(4,36-23)22(32)13-24(33)31(5)20-12-18(10-16)11-17(2)25(20)29/h7-9,11-12,19,21-23,32H,10,13-15H2,1-6H3,(H,30,34)/b9-7+,16-8+/t19-,21?,22?,23?,27?,28?/m1/s1
• InChIKey: GQZSMIHRZNNBIC-UAAIKENESA-N
• XLogP: 4.24
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.07
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione?

The IUPAC name of (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione (CID 167189190) is (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione.

What is the SMILES notation for (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione?

The canonical SMILES for (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione is COC1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)CC(O)C2(C)OC2CC2(C)C[C@H]1NC(=O)O2.

What is the InChIKey of (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione?

The InChIKey is GQZSMIHRZNNBIC-UAAIKENESA-N. The full InChI is InChI=1S/C28H37ClN2O6/c1-16-8-7-9-21(35-6)19-14-27(3,37-26(34)30-19)15-23-28(4,36-23)22(32)13-24(33)31(5)20-12-18(10-16)11-17(2)25(20)29/h7-9,11-12,19,21-23,32H,10,13-15H2,1-6H3,(H,30,34)/b9-7+,16-8+/t19-,21?,22?,23?,27?,28?/m1/s1.

What are the key properties of (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione?

(16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione has a molecular weight of 533.07 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (16E,18E,21R)-11-chloro-6-hydroxy-20-methoxy-1,5,9,12,16-pentamethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione is sourced from PubChem (CID 167189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).