Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C21H28NO6.C2H3O2 |
| Molecular Weight | 449.4941 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC([O-])=O.C\C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=C3[C@@H](CC[N+]3(C)C=C2)OC1=O
InChI
InChIKey=HEFVRFGSCMTUTB-AHDIUFBRSA-M
InChI=1S/C21H28NO6.C2H4O2/c1-6-15-11-13(2)21(4,28-14(3)23)20(25)26-12-16-7-9-22(5)10-8-17(18(16)22)27-19(15)24;1-2(3)4/h6-7,9,13,17H,8,10-12H2,1-5H3;1H3,(H,3,4)/q+1;/p-1/b15-6+;/t13-,17-,21-,22?;/m1./s1
| Molecular Formula | C21H28NO6 |
| Molecular Weight | 390.4501 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2H3O2 |
| Molecular Weight | 59.044 |
| Charge | -1 |
| 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
Mon Mar 31 22:06:50 GMT 2025
by
admin
on
Mon Mar 31 22:06:50 GMT 2025
|
| Record UNII |
10EHY3D8GY
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
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71673-83-1
Created by
admin on Mon Mar 31 22:06:50 GMT 2025 , Edited by admin on Mon Mar 31 22:06:50 GMT 2025
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92135827
Created by
admin on Mon Mar 31 22:06:50 GMT 2025 , Edited by admin on Mon Mar 31 22:06:50 GMT 2025
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10EHY3D8GY
Created by
admin on Mon Mar 31 22:06:50 GMT 2025 , Edited by admin on Mon Mar 31 22:06:50 GMT 2025
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DB04943
Created by
admin on Mon Mar 31 22:06:50 GMT 2025 , Edited by admin on Mon Mar 31 22:06:50 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |