Structure Database (LMSD)

Common Name
Oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000031
Status
Active
Exact Mass
Calculate m/z
386.230455
Formula
C20H34O7
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
PFDLUBNRHMFBGI-HRVFELILSA-N
InChi (Click to copy)
InChI=1S/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1
SMILES (Click to copy)
[C@@]12(CO1)C[C@H](C)[C@H](O)[C@@H](C)[C@@H]([C@@H](C)C(O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C2=O)=O)O

References

Other Databases

KEGG ID
C11990
CHEBI ID
29658
PubChem CID
443564

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 386.09
Topological Polar Surface Area 118.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.64
Molar Refractivity 100.75

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Created at
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Updated at
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