Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H36O5.C4H11NO3 |
Molecular Weight | 489.6426 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChI
InChIKey=UMMADZJLZAPZAW-XOWPVRJPSA-N
InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1
Molecular Formula | C21H36O5 |
Molecular Weight | 368.5075 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H11NO3 |
Molecular Weight | 121.135 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:23:30 UTC 2023
by
admin
on
Fri Dec 15 15:23:30 UTC 2023
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Record UNII |
U4526F86FJ
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78568
Created by
admin on Fri Dec 15 15:23:30 UTC 2023 , Edited by admin on Fri Dec 15 15:23:30 UTC 2023
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Code System | Code | Type | Description | ||
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U4526F86FJ
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3404
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58551-69-2
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CHEMBL1237122
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20259
Created by
admin on Fri Dec 15 15:23:30 UTC 2023 , Edited by admin on Fri Dec 15 15:23:30 UTC 2023
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5281074
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C47433
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100000090019
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DTXSID601015618
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DB00429
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SUB01053MIG
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m3094
Created by
admin on Fri Dec 15 15:23:30 UTC 2023 , Edited by admin on Fri Dec 15 15:23:30 UTC 2023
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PRIMARY | Merck Index | ||
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C062843
Created by
admin on Fri Dec 15 15:23:30 UTC 2023 , Edited by admin on Fri Dec 15 15:23:30 UTC 2023
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U4526F86FJ
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1096509
Created by
admin on Fri Dec 15 15:23:30 UTC 2023 , Edited by admin on Fri Dec 15 15:23:30 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |