Structure Database (LMSD)

Common Name
Oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000031
Formula
C20H34O7
Exact Mass
Calculate m/z
386.230455
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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

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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Updated at
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