Structure Database (LMSD)

Common Name
gibberellin A17
Systematic Name
Synonyms
  • GA17
  • gibberellin 17
LM ID
LMPR0104170034
Status
Active
Exact Mass
Calculate m/z
378.167855
Formula


Download as...
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)
AUKMHZZVLPQAOX-CDNFTCFOSA-N
InChi (Click to copy)
InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,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)CCC2

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 356.09
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.43
Molar Refractivity 93.27

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Created at
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Updated at
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