Structure Database (LMSD)

Common Name
2,3-Didehydrogibberellin A9
Systematic Name
Synonyms
LM ID
LMPR0104170023
Status
Active
Exact Mass
Calculate m/z
314.15181
Formula
C19H22O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Gibberellins [PR010417]

String Representations

InChiKey (Click to copy)
NJHXRWOUQCGQAV-YGNOGLJPSA-N
InChi (Click to copy)
InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES (Click to copy)

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11866
CHEBI ID
29467
PubChem CID
443459

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 300.06
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.23
Molar Refractivity 82.84

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Updated at
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