Structure Database (LMSD)

O H O OH O OH H
Common Name
Gibberellin A44
Systematic Name
Synonyms
LM ID
LMPR0104170030
Formula
C20H26O5
Exact Mass
Calculate m/z
346.178025
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
KSBJAONOPKRVRR-LTTRRGSQSA-N
InChi (Click to copy)
InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17-,18+,19-,20-/m0/s1
SMILES (Click to copy)
[H][C@]12[C@]3(COC(=O)[C@@]1(C)CCC3)[C@]1([C@@]3(CC([C@@](CC1)(O)C3)=C)[C@H]2C(=O)O)[H]

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C12308
PubChem CID
443756

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 328.79
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.10
Molar Refractivity 89.45

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Created at
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Updated at
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