11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride

C38H38Cl2N2O9 — CID 76871804

About 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride

11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride (PubChem CID 76871804) has the molecular formula C38H38Cl2N2O9 and a molecular weight of 737.63 g/mol. Its IUPAC name is 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride
• PubChem CID: 76871804
• Molecular Formula: C38H38Cl2N2O9
• Molecular Weight: 737.63 g/mol
• Exact Mass: 736.20
• IUPAC Name: 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride
• SMILES: COc1cc(O)c2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3.Cl.Cl
• InChI: InChI=1S/C38H36N2O9.2ClH/c1-40-14-12-24-32-26(40)15-22-17-30(29(44-3)19-27(22)41)48-23-9-7-20(8-10-23)34(42)33-25-18-31(28(43-2)16-21(25)11-13-39-33)49-36(32)38(47-6)37(46-5)35(24)45-4;;/h7-11,13,16-19,26,41H,12,14-15H2,1-6H3;2*1H
• InChIKey: IBDNEMZDFZZIPF-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 118.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	737.63
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride?

The IUPAC name of 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride (CID 76871804) is 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride.

What is the SMILES notation for 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride?

The canonical SMILES for 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride is COc1cc(O)c2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3.Cl.Cl.

What is the InChIKey of 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride?

The InChIKey is IBDNEMZDFZZIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O9.2ClH/c1-40-14-12-24-32-26(40)15-22-17-30(29(44-3)19-27(22)41)48-23-9-7-20(8-10-23)34(42)33-25-18-31(28(43-2)16-21(25)11-13-39-33)49-36(32)38(47-6)37(46-5)35(24)45-4;;/h7-11,13,16-19,26,41H,12,14-15H2,1-6H3;2*1H.

What are the key properties of 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride?

11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride has a molecular weight of 737.63 g/mol, XLogP of 7.73, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one;dihydrochloride is sourced from PubChem (CID 76871804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).