methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate

C26H38O8 — CID 139590221

IUPACmethyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2C(=O)[C@H](C)CC[C@@]3(C)OC(=O)C(OC)=C(C(C)C)[C@@H]3C/C=C(/C)[C@H]2O[C@]1(C)O
InChIInChI=1S/C26H38O8/c1-13(2)17-16-10-9-15(4)21-18(19(23(28)32-8)26(6,30)33-21)20(27)14(3)11-12-25(16,5)34-24(29)22(17)31-7/h9,13-14,16,18-19,21,30H,10-12H2,1-8H3/b15-9-/t14-,16+,18-,19+,21-,25-,26+/m1/s1
InChIKeyDHYUORJOPDCJCU-JLFNMMFOSA-N
MW478.58 g/mol
LogP3.32
Rot. Bonds3

About methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate

methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate (PubChem CID 139590221) has the molecular formula C26H38O8 and a molecular weight of 478.58 g/mol. Its IUPAC name is methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate
PubChem CID139590221
Molecular FormulaC26H38O8
Molecular Weight478.58 g/mol
Exact Mass478.26
IUPAC Namemethyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2C(=O)[C@H](C)CC[C@@]3(C)OC(=O)C(OC)=C(C(C)C)[C@@H]3C/C=C(/C)[C@H]2O[C@]1(C)O
InChIInChI=1S/C26H38O8/c1-13(2)17-16-10-9-15(4)21-18(19(23(28)32-8)26(6,30)33-21)20(27)14(3)11-12-25(16,5)34-24(29)22(17)31-7/h9,13-14,16,18-19,21,30H,10-12H2,1-8H3/b15-9-/t14-,16+,18-,19+,21-,25-,26+/m1/s1
InChIKeyDHYUORJOPDCJCU-JLFNMMFOSA-N
XLogP3.32
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate?
The IUPAC name of methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate (CID 139590221) is methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate.
What is the SMILES notation for methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate?
The canonical SMILES for methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate is COC(=O)[C@@H]1[C@@H]2C(=O)[C@H](C)CC[C@@]3(C)OC(=O)C(OC)=C(C(C)C)[C@@H]3C/C=C(/C)[C@H]2O[C@]1(C)O.
What is the InChIKey of methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate?
The InChIKey is DHYUORJOPDCJCU-JLFNMMFOSA-N. The full InChI is InChI=1S/C26H38O8/c1-13(2)17-16-10-9-15(4)21-18(19(23(28)32-8)26(6,30)33-21)20(27)14(3)11-12-25(16,5)34-24(29)22(17)31-7/h9,13-14,16,18-19,21,30H,10-12H2,1-8H3/b15-9-/t14-,16+,18-,19+,21-,25-,26+/m1/s1.
What are the key properties of methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate?
methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate has a molecular weight of 478.58 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-7-hydroxy-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate is sourced from PubChem (CID 139590221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).