Structure Database (LMSD)
Common Name
Gibberellin A20
Systematic Name
7α-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
Synonyms
3D model of Gibberellin A20
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)
OXFPYCSNYOFUCH-KQBHUUJHSA-N
InChi (Click to copy)
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES (Click to copy)
[C@@]123CC(=C)[C@](O)(CC[C@@]1([H])[C@]14[C@@]([H])([C@@](C(=O)O1)(C)CCC4)[C@@H]2C(=O)O)C3
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
2.85
Molar Refractivity
84.90
Admin
Created at
-
Updated at
20th May 2025