Structure Database (LMSD)

Common Name
Ginkgolide C
Systematic Name
Synonyms
LM ID
LMPR0104540003
Formula
C20H24O11
Exact Mass
Calculate m/z
440.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy.,
Chirality, 2010
Pubmed ID: 19455619

String Representations

InChiKey (Click to copy)
AMOGMTLMADGEOQ-AEXCBEIUSA-N
InChi (Click to copy)
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17?,18?,19-,20-/m1/s1
SMILES (Click to copy)

Other Databases

Wikipedia
Ginkgolide
KEGG ID
C07603
CHEBI ID
5357
PubChem CID
441295
Cayman ID
19872

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 6
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 369.17
Topological Polar Surface Area 177.33
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP -0.11
Molar Refractivity 97.50

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Updated at
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