Structure Database (LMSD)
Common Name
(-)-Illudin M
Systematic Name
(-)-1α,7β-dihydroxy-2,9-illudadien-8-one
Synonyms
3D model of (-)-Illudin M
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
QVMDIQLUNODCTG-OCCSQVGLSA-N
InChi (Click to copy)
InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1
SMILES (Click to copy)
[C@@]1(C)(O)C(=O)C2=CC(C)(C)[C@H](O)C2=C(C)C21CC2
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
249.43
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.32
Molar Refractivity
68.89
Admin
Created at
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Updated at
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