83709-73-3
12-EPILEUKOTRIENE B4
Name
12-EPILEUKOTRIENE B4
Formula
C20 H32 O4
MolWeight
336.469
1Identification
【Name】
12-EPILEUKOTRIENE B4
【CAS】
【MDL】
MFCD00065829
【English Synonyms】
【Formula】
C20 H32 O4
【MolWeight】
336.469
【Inchi】
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19+/m0/s1
【InChIKey】
InChIKey=VNYSSYRCGWBHLG-RYYHSVJXSA-N
【SMILES】
CCCCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
12-EPILEUKOTRIENE B4.cml
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