Details
Stereochemistry | EPIMERIC |
Molecular Formula | C22H32O4.C4H11NO3 |
Molecular Weight | 481.6221 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
InChI
InChIKey=KZSSWXACMCYLBM-RMWNCEGRSA-N
InChI=1S/C22H32O4.C4H11NO3/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24;5-4(1-6,2-7)3-8/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26);6-8H,1-3,5H2/b11-10+,16-8+;/t15?,17-,18+,19-,20+,21+;/m0./s1
Molecular Formula | C22H32O4 |
Molecular Weight | 360.4871 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
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
Sat Dec 16 05:22:52 UTC 2023
by
admin
on
Sat Dec 16 05:22:52 UTC 2023
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Record UNII |
807T91913V
|
Record Status |
Validated (UNII)
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Record Version |
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-
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100000090093
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DTXSID20220021
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46174092
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m6212
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admin on Sat Dec 16 05:22:53 UTC 2023 , Edited by admin on Sat Dec 16 05:22:53 UTC 2023
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PRIMARY | Merck Index | ||
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SUB14185MIG
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admin on Sat Dec 16 05:22:53 UTC 2023 , Edited by admin on Sat Dec 16 05:22:53 UTC 2023
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807T91913V
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697225-02-8
Created by
admin on Sat Dec 16 05:22:53 UTC 2023 , Edited by admin on Sat Dec 16 05:22:53 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |