Structure Database (LMSD)

Common Name
18-acetoxy-PGF2alpha-11-acetate
Systematic Name
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid
Synonyms
  • 18-acetoxy-Prostaglandin F2alpha-11-acetate
LM ID
LMFA03010098
Status
Active
Exact Mass
Calculate m/z
454.25667
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RPLPBOQMXRLFMI-WWHNEAPVSA-N
InChi (Click to copy)
InChI=1S/C24H38O8/c1-4-19(31-16(2)25)13-11-18(27)12-14-21-20(9-7-5-6-8-10-24(29)30)22(28)15-23(21)32-17(3)26/h5,7,12,14,18-23,27-28H,4,6,8-11,13,15H2,1-3H3,(H,29,30)/b7-5-,14-12+/t18-,19?,20+,21+,22-,23+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC(OC(=O)C)CC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lobophytum depressum (#2486328)
Anthozoa (#6101)
New prostaglandin (PGF) derivatives from the soft coral Lobophytum depressum,
Tetrahedron Letts, 1980

Other Databases

CHEBI ID
LIPIDBANK ID
XPR8052
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 468.52
Topological Polar Surface Area 130.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 4.30
Molar Refractivity 120.68

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Updated at
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