Structure Database (LMSD)

Common Name
2,3-Didehydrogibberellin A9
Systematic Name
1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-2-ene-10β-carboxylic acid
Synonyms
LM ID
LMPR0104170023
Formula
Exact Mass
Calculate m/z
314.15181
Status
Curated


Classification

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)
[C@@]123CC([C@H](CC[C@]1([C@]14OC(=O)[C@](C)(C=CC1)[C@]4([C@@H]2C(O)=O)[H])[H])C3)=C

Other Databases

KEGG ID
CHEBI ID
PubChem CID

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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Created at
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Updated at
20th May 2025