Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104250001
Common Name(-)-Amijiol
Systematic Name(-)-1(15),8-dolastadiene-4β,14β-diol
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Dolastane and modified dolastane diterpenoids [PR010425]
PubChem CID14890520
InChIKeyZHDYUIWBYAYXJQ-WTGUMLROSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-13(2)15-8-10-18(4)12-20(22)14(3)6-7-17(21)19(20,5)11-9-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18-,19-,20+/m1/s1
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SMILES
[C@@]12(C)C[C@]3(O)C(=C)C([H])C[C@@H](O)[C@@]3(C)CCC1=C(C(C)C)CC2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
329.78Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.94Molar
Refractivity
91.52