Structure Database (LMSD)
Common Name
(-)-Isoamijiol
Systematic Name
(-)-1(15),8-dolastadiene-2β,14β-diol
Synonyms
3D model of (-)-Isoamijiol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
YEHZXAFZUPRJBB-NMLBUPMWSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-13(2)15-6-9-18(4)12-20(22)14(3)17(21)8-11-19(20,5)10-7-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18+,19+,20-/m0/s1
SMILES (Click to copy)
[C@@]12(C)C[C@]3(O)C(=C)[C@@H](O)CC([H])[C@@]3(C)CCC1=C(C(C)C)CC2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
329.78
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
4.94
Molar Refractivity
91.52
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Created at
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Updated at
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