Structure Database (LMSD)

Common Name
gibberellin A28
Systematic Name
Synonyms
  • GA28
  • gibberellin 28
LM ID
LMPR0104170035
Status
Active
Exact Mass
Calculate m/z
394.16277
Formula


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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

String Representations

InChiKey (Click to copy)
YPZCOEDTKIYBEB-ZVBXRXONSA-N
InChi (Click to copy)
InChI=1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,17-,18+,19+,20-/m1/s1
SMILES (Click to copy)
[C@@]12(C(O)=O)[C@]([H])([C@H](C(O)=O)[C@@]34CC(=C)[C@@](O)(C3)CC[C@@]14[H])[C@@](C(O)=O)(C)[C@@H](O)CC2

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 364.88
Topological Polar Surface Area 152.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 1.68
Molar Refractivity 95.17

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Created at
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Updated at
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