Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C22H29NO9 |
| Molecular Weight | 451.467 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)NCC(COC1=C2C=CC=CC2=C(O)C=C1)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O
InChI
InChIKey=BAKXCGCWLWKBFW-MBOKBCRSSA-N
InChI=1S/C22H29NO9/c1-11(2)23-9-12(31-22-19(27)17(25)18(26)20(32-22)21(28)29)10-30-16-8-7-15(24)13-5-3-4-6-14(13)16/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1
| Molecular Formula | C22H29NO9 |
| Molecular Weight | 451.467 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 10:42:44 GMT 2025
by
admin
on
Wed Apr 02 10:42:44 GMT 2025
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| Record UNII |
VY58B6SD7Z
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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VY58B6SD7Z
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29858-53-5
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admin on Wed Apr 02 10:42:44 GMT 2025 , Edited by admin on Wed Apr 02 10:42:44 GMT 2025
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185706
Created by
admin on Wed Apr 02 10:42:44 GMT 2025 , Edited by admin on Wed Apr 02 10:42:44 GMT 2025
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DTXSID80952311
Created by
admin on Wed Apr 02 10:42:44 GMT 2025 , Edited by admin on Wed Apr 02 10:42:44 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
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PARENT -> METABOLITE |
