Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C24H30FO9P.2Na |
Molecular Weight | 558.4413 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COP([O-])([O-])=O
InChI
InChIKey=XCMJCLDAGKYHPP-AREPQIRLSA-L
InChI=1S/C24H32FO9P.2Na/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31;;/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31);;/q;2*+1/p-2/t15-,16-,17-,19+,21-,22-,23-,24+;;/m0../s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C521
Created by
admin on Fri Dec 15 14:58:59 UTC 2023 , Edited by admin on Fri Dec 15 14:58:59 UTC 2023
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CHEMBL2111162
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100000175600
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16147
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1997-15-5
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C152734
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DTXSID30941876
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m11028
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admin on Fri Dec 15 14:58:59 UTC 2023 , Edited by admin on Fri Dec 15 14:58:59 UTC 2023
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R2MZ7K74S8
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217-878-8
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SUBSTANCE RECORD