17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane

C34H39NO8 — CID 142859220

IUPAC17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane
SMILESCC.COC/C(O)=C\c1oc(=O)c2c(c1C)c(-c1ccc(OC)c(OC)c1)c1c3cc(OC)c(OC(C)C)cc3ccn12
InChIInChI=1S/C32H33NO8.C2H6/c1-17(2)40-27-12-19-10-11-33-30(22(19)15-26(27)39-7)29(20-8-9-23(37-5)25(13-20)38-6)28-18(3)24(14-21(34)16-36-4)41-32(35)31(28)33;1-2/h8-15,17,34H,16H2,1-7H3;1-2H3/b21-14+;
InChIKeyPWTPRYBJDKOLJP-UNLLECTCSA-N
MW589.69 g/mol
LogP7.56
Rot. Bonds9

About 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane

17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane (PubChem CID 142859220) has the molecular formula C34H39NO8 and a molecular weight of 589.69 g/mol. Its IUPAC name is 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane.

Molecular Properties

Compound Name17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane
PubChem CID142859220
Molecular FormulaC34H39NO8
Molecular Weight589.69 g/mol
Exact Mass589.27
IUPAC Name17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane
SMILESCC.COC/C(O)=C\c1oc(=O)c2c(c1C)c(-c1ccc(OC)c(OC)c1)c1c3cc(OC)c(OC(C)C)cc3ccn12
InChIInChI=1S/C32H33NO8.C2H6/c1-17(2)40-27-12-19-10-11-33-30(22(19)15-26(27)39-7)29(20-8-9-23(37-5)25(13-20)38-6)28-18(3)24(14-21(34)16-36-4)41-32(35)31(28)33;1-2/h8-15,17,34H,16H2,1-7H3;1-2H3/b21-14+;
InChIKeyPWTPRYBJDKOLJP-UNLLECTCSA-N
XLogP7.56
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane?
The IUPAC name of 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane (CID 142859220) is 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane.
What is the SMILES notation for 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane?
The canonical SMILES for 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane is CC.COC/C(O)=C\c1oc(=O)c2c(c1C)c(-c1ccc(OC)c(OC)c1)c1c3cc(OC)c(OC(C)C)cc3ccn12.
What is the InChIKey of 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane?
The InChIKey is PWTPRYBJDKOLJP-UNLLECTCSA-N. The full InChI is InChI=1S/C32H33NO8.C2H6/c1-17(2)40-27-12-19-10-11-33-30(22(19)15-26(27)39-7)29(20-8-9-23(37-5)25(13-20)38-6)28-18(3)24(14-21(34)16-36-4)41-32(35)31(28)33;1-2/h8-15,17,34H,16H2,1-7H3;1-2H3/b21-14+;.
What are the key properties of 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane?
17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane has a molecular weight of 589.69 g/mol, XLogP of 7.56, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(3,4-dimethoxyphenyl)-14-[(E)-2-hydroxy-3-methoxyprop-1-enyl]-4-methoxy-15-methyl-5-propan-2-yloxy-13-oxa-10-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),14-heptaen-12-one;ethane is sourced from PubChem (CID 142859220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).