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
Formula
Exact Mass
Calculate m/z
454.25667
Sum Composition
Status
Active

Classification

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

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

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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