Structure database (LMSD)

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LM IDLMPR0104170016
Common NameGibberellin A37 (W)
Systematic Name-
Synonyms-
Exact Mass
364.1886 (neutral)    Calculate m/z:
FormulaC20H28O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Gibberellins [PR010417]
PubChem CID443452
KEGG IDC11859
InChIKeyUAKKWAVFAPTAOA-SQLMURCQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)1
5(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14
-,15-,18-,19-,20+/m1/s1
SMILES[C@@]123[C@@]([H])(CC[C@@H](C(=C)C1)C2)[C@]1([C@@]([H])([C@](C)(C(=O)O)[C@@H](O)
CC1)[C@@H]3C(=O)O)CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings4Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
349.94Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.48Molar
Refractivity
93.14