Structure Database (LMSD)

Common Name
Ginkgolide J
Systematic Name
Synonyms
LM ID
LMPR0104540004
Formula
C20H24O10
Exact Mass
Calculate m/z
424.13695
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
LMEHVEUFNRJAAV-OODNYQCMSA-N
InChi (Click to copy)
InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17?,18?,19-,20-/m1/s1
SMILES (Click to copy)
C123C[C@@]4([H])[C@](O)([C@H](C)C(O4)=O)[C@]41C(O[C@]2([H])[C@@H]([C@@H](C(C)(C)C)C13[C@@H](O)C(O[C@H]1O4)=O)O)=O

Other Databases

Wikipedia
Ginkgolide
KEGG ID
C07604
CHEBI ID
5358
PubChem CID
21725807

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 6
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 360.38
Topological Polar Surface Area 157.10
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 0.64
Molar Refractivity 95.60

Admin

Created at
-
Updated at
11th May 2021