Structure Database (LMSD)
Common Name
Gibberellin A51
Systematic Name
3β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
Synonyms
3D model of Gibberellin A51
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)
HHDWSDSMWJQURA-MHKXYFPYSA-N
InChi (Click to copy)
InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES (Click to copy)
[C@@]123CC([C@H](CC[C@]1([C@]14OC(=O)[C@](C)(C[C@@H](O)C1)[C@]4([C@@H]2C(O)=O)[H])[H])C3)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
5
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
311.49
Topological Polar Surface Area
85.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
2.71
Molar Refractivity
84.83
Admin
Created at
-
Updated at
22nd May 2025