(16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone

About (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone

(16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone (PubChem CID 159550306) has the molecular formula C51H81NO12 and a molecular weight of 900.20 g/mol. Its IUPAC name is (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone.

Molecular Properties

Compound Name	(16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone
PubChem CID	159550306
Molecular Formula	C51H81NO12
Molecular Weight	900.20 g/mol
Exact Mass	899.58
IUPAC Name	(16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone
SMILES	COC1CC2CCC(C)C(O)(O2)C(O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(C)C2)CC(=O)C(C)/C=C(/C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=CC=C1C
InChI	InChI=1S/C51H81NO12/c1-30-16-12-11-13-17-31(2)43(61-9)28-39-21-19-37(8)51(60,64-39)48(57)49(58)52-23-15-14-18-40(52)50(59)63-44(34(5)27-38-20-22-41(53)33(4)26-38)29-42(54)32(3)25-36(7)46(56)47(62-10)45(55)35(6)24-30/h11-13,16-17,25,30,32-35,37-41,43-44,46-48,53,56-57,60H,14-15,18-24,26-29H2,1-10H3/b13-11?,16-12+,31-17?,36-25-
InChIKey	ZSAYYZCPDBGVTI-NSOXAFKYSA-N
XLogP	6.59
TPSA	189.36 Å²
H-Bond Donors	4
H-Bond Acceptors	12
Rotatable Bonds	5
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.20
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The IUPAC name of (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone (CID 159550306) is (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone.

What is the SMILES notation for (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The canonical SMILES for (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone is COC1CC2CCC(C)C(O)(O2)C(O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(C)C2)CC(=O)C(C)/C=C(/C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=CC=C1C.

What is the InChIKey of (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

The InChIKey is ZSAYYZCPDBGVTI-NSOXAFKYSA-N. The full InChI is InChI=1S/C51H81NO12/c1-30-16-12-11-13-17-31(2)43(61-9)28-39-21-19-37(8)51(60,64-39)48(57)49(58)52-23-15-14-18-40(52)50(59)63-44(34(5)27-38-20-22-41(53)33(4)26-38)29-42(54)32(3)25-36(7)46(56)47(62-10)45(55)35(6)24-30/h11-13,16-17,25,30,32-35,37-41,43-44,46-48,53,56-57,60H,14-15,18-24,26-29H2,1-10H3/b13-11?,16-12+,31-17?,36-25-.

What are the key properties of (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone?

(16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone has a molecular weight of 900.20 g/mol, XLogP of 6.59, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (16E,24E)-1,2,18-trihydroxy-12-[1-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone is sourced from PubChem (CID 159550306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).