59497-39-1
NAFLOCORT
Name
NAFLOCORT
Formula
C29 H33 F O4
MolWeight
464.574
1Identification
【Name】
NAFLOCORT
【CAS】
【MDL】
MFCD00864162
【English Synonyms】
【Formula】
C29 H33 F O4
【MolWeight】
464.574
【Inchi】
InChI=1S/C29H33FO4/c1-26-10-9-21(32)12-19(26)7-8-22-23-13-20-11-17-5-3-4-6-18(17)14-28(20,25(34)16-31)27(23,2)15-24(33)29(22,26)30/h3-6,9-10,12,20,22-24,31,33H,7-8,11,13-16H2,1-2H3/t20-,22+,23+,24+,26+,27+,28-,29+/m1/s1
【InChIKey】
InChIKey=IAHHOCLLSLZUNW-LDLSTMIQSA-N
【SMILES】
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(Cc5ccccc5C4)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NAFLOCORT.cml
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