Details
Stereochemistry | EPIMERIC |
Molecular Formula | C27H30O9.C6H14N2O2 |
Molecular Weight | 644.7093 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCCC[C@H](N)C(O)=O.CCCC1=C(OCC(O)COC2=CC=C3C(=O)C=C(OC3=C2CCC)C(O)=O)C=CC(C(C)=O)=C1O
InChI
InChIKey=GLUZQBCTQJLSRH-ZSCHJXSPSA-N
InChI=1S/C27H30O9.C6H14N2O2/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2;7-4-2-1-3-5(8)6(9)10/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
Molecular Formula | C27H30O9 |
Molecular Weight | 498.5217 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C6H14N2O2 |
Molecular Weight | 146.1876 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:36:54 GMT 2023
by
admin
on
Fri Dec 15 15:36:54 GMT 2023
|
Record UNII |
JEK927D7N6
|
Record Status |
Validated (UNII)
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Record Version |
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-
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68838-92-6
Created by
admin on Fri Dec 15 15:36:54 GMT 2023 , Edited by admin on Fri Dec 15 15:36:54 GMT 2023
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PRIMARY | |||
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JEK927D7N6
Created by
admin on Fri Dec 15 15:36:54 GMT 2023 , Edited by admin on Fri Dec 15 15:36:54 GMT 2023
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PRIMARY | |||
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70592699
Created by
admin on Fri Dec 15 15:36:54 GMT 2023 , Edited by admin on Fri Dec 15 15:36:54 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |