Structure Database (LMSD)

Common Name
Sarcoehrendin F
Systematic Name
methyl 18-oxo-9S,hydroxy-11R,15S-diacetoxy-5Z,13E-prostadienoate
Synonyms
LM ID
LMFA03010227
Formula
C25H38O8
Exact Mass
Calculate m/z
466.25667
Sum Composition
FA 25:6;O6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sarcophyton ehrenbergi (#358800)
Anthozoa (#6101)
Prostaglandin Derivatives: Nonaromatic Phosphodiesterase-4 Inhibitors from the Soft Coral Sarcophyton ehrenbergi.,
J Nat Prod, 2014
Pubmed ID: 25075977

String Representations

InChiKey (Click to copy)
RIGNIEQLKLSKOL-RLOFWGIPSA-N
InChi (Click to copy)
InChI=1S/C25H38O8/c1-5-19(28)12-13-20(32-17(2)26)14-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,14-15,20-24,29H,5,7,9-13,16H2,1-4H3/b8-6-,15-14+/t20-,21+,22+,23-,24+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](OC(C)=O)CCC(=O)CC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC

Other Databases

PubChem CID
118713849

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 483.18
Topological Polar Surface Area 116.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 4.31
Molar Refractivity 123.54

Admin

Created at
11th May 2020
Updated at
11th May 2020