Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104070003
Common Namegibberellin A2
Systematic Name-
Synonyms-
Exact Mass
350.1729 (neutral)    Calculate m/z:
FormulaC19H26O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Totarane and nagilactone diterpenoids [PR010407]
PubChem CID16020007
CHEBI ID36774
InChIKeyOJDCBRZJXYBPFZ-UIEKCWFXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H26O6/c1-16(24)8-18-7-9(16)3-4-10(18)19-6-5-11(20)17(2,15(23)25-19)13(19)12(18)14(21)22/h9-13,20,24H,3-8H2,1-2H3,(H,21,22)/t9-,10-,11+,12-,13-,16-,17-,18-,19-/m1/s1
Click to highlight InChI
SMILES
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
322.92Topological Polar
Surface Area
106.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.19Molar
Refractivity
86.83