Structure Database (LMSD)

Common Name
18-acetoxy-PGF2alpha-11-acetate methyl ester
Systematic Name
methyl 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoate
Synonyms
  • 18-acetoxy-Prostaglandin F2alpha-11-acetate methyl ester
LM ID
LMFA03010099
Status
Active
Exact Mass
Calculate m/z
468.27232
Formula
Abbrev


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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)
DILYBEDJTMAIIY-IJALTSKHSA-N
InChi (Click to copy)
InChI=1S/C25H40O8/c1-5-20(32-17(2)26)14-12-19(28)13-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,13,15,19-24,28-29H,5,7,9-12,14,16H2,1-4H3/b8-6-,15-13+/t19-,20?,21+,22+,23-,24+/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)OC

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
XPR8053
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 485.82
Topological Polar Surface Area 119.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 4.39
Molar Refractivity 125.06

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Updated at
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