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33964-75-9
13(S)-HPODE
Name
13(S)-HPODE
Formula
C18 H32 O4
MolWeight
312.447
1Identification
【Name】
13(S)-HPODE
【CAS】
【MDL】
MFCD00132916
【English Synonyms】
【Formula】
C18 H32 O4
【MolWeight】
312.447
【Inchi】
InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
【InChIKey】
InChIKey=JDSRHVWSAMTSSN-IRQZEAMPSA-N
【SMILES】
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
13(S)-HPODE.cml
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Catalog No:PS-BI-553 nullnull
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