Compound Summary
monorden
Compound Information
monorden
Compound Name: | monorden |
Compound CID: | 6323491 |
Synonyms: | radicicol |
Iupac Name: | (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione |
InChI: | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 |
InChIKey: | WYZWZEOGROVVHK-GTMNPGAYSA-N |
Canonical Smiles: | CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1 |
Isomeric Smiles: | C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1 |
Molecular Weight: | 364.8 |
Molecular Formula: | C18H17ClO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
monorden
Molecular Weight: | 364.8 |
Molecular Formula: | C18H17ClO6 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 25 |
Complexity: | 588 |
Synonyms
monorden
Experimental Data
monorden
Experimental Data Visualization
monorden
Statistics Data
monorden
Statistics Data Visualization
monorden
