19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one

C26H32O9 — CID 23930352

IUPAC19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC3(O)OCC4(C)OC5(OC)CCC(C)(C1C2)C43O5
InChIInChI=1S/C26H32O9/c1-13-15-10-31-20(27)17(15)19(29-5)14-9-16-21(2)7-8-25(30-6)34-23(4)12-32-24(28,26(21,23)35-25)11-22(16,3)33-18(13)14/h16,28H,7-12H2,1-6H3
InChIKeyUEVWVMGTABEFID-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.75
Rot. Bonds2

About 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one

19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one (PubChem CID 23930352) has the molecular formula C26H32O9 and a molecular weight of 488.53 g/mol. Its IUPAC name is 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one.

Molecular Properties

Compound Name19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one
PubChem CID23930352
Molecular FormulaC26H32O9
Molecular Weight488.53 g/mol
Exact Mass488.20
IUPAC Name19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC3(O)OCC4(C)OC5(OC)CCC(C)(C1C2)C43O5
InChIInChI=1S/C26H32O9/c1-13-15-10-31-20(27)17(15)19(29-5)14-9-16-21(2)7-8-25(30-6)34-23(4)12-32-24(28,26(21,23)35-25)11-22(16,3)33-18(13)14/h16,28H,7-12H2,1-6H3
InChIKeyUEVWVMGTABEFID-UHFFFAOYSA-N
XLogP2.75
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one?
The IUPAC name of 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one (CID 23930352) is 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one.
What is the SMILES notation for 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one?
The canonical SMILES for 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one is COc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC3(O)OCC4(C)OC5(OC)CCC(C)(C1C2)C43O5.
What is the InChIKey of 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one?
The InChIKey is UEVWVMGTABEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O9/c1-13-15-10-31-20(27)17(15)19(29-5)14-9-16-21(2)7-8-25(30-6)34-23(4)12-32-24(28,26(21,23)35-25)11-22(16,3)33-18(13)14/h16,28H,7-12H2,1-6H3.
What are the key properties of 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one?
19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one has a molecular weight of 488.53 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxy-1,8-dimethoxy-4,14,17,22-tetramethyl-11,16,20,24,25-pentaoxaheptacyclo[20.2.1.04,23.05,17.07,15.09,13.019,23]pentacosa-7(15),8,13-trien-10-one is sourced from PubChem (CID 23930352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).