Structure Database (LMSD)

Common Name
ent-20-F4t-NeuroP
Systematic Name
(4Z,7Z,10Z)-12-((1R,2S,3S,5R)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)dodeca-4,7,10-trienoic acid
Synonyms
  • (14R,16S,20R)-20-F4-NeuroP[13R,17S]
LM ID
LMFA04010123
Formula
Exact Mass
Calculate m/z
378.240625
Sum Composition
Status
Active (generated by computational methods)

Classification

String Representations

InChiKey (Click to copy)
CJWASNYUTHNACM-XYZUDVARSA-N
InChi (Click to copy)
InChI=1S/C22H34O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-21,23-25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18-,19+,20-,21+/m1/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@H](O)CC)(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 407.55
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.23
Molar Refractivity 108.73

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Created at
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Updated at
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