Structure Database (LMSD)
Common Name
ent-5,8-diepi-5-A2-IsoP
Systematic Name
(S,E)-5-hydroxy-7-((1R,2S)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
Synonyms
- (5S)-5-A2-IsoP[8R,12S]
LM ID
LMFA03110259
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Active (generated by computational methods)
3D model of ent-5,8-diepi-5-A2-IsoP
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
RJVZVQFMKQNQJP-CAZFLBFPSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
364.16
Topological Polar Surface Area
74.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.34
Molar Refractivity
96.17
Admin
Created at
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Updated at
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