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
Formula
Exact Mass
Calculate m/z
468.27232
Sum Composition
Status
Active
3D model of 18-acetoxy-PGF2alpha-11-acetate methyl ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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
Tetrahedron Letts, 1980
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
Other Databases
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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