Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4593 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)[C@H](O)CO
InChI
InChIKey=NSAMWGIJBKAFLB-USSSXZFTSA-N
InChI=1S/C21H30O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-18,22,24-27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,17+,18+,19-,20-,21-/m0/s1
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4593 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:43:13 GMT 2025
by
admin
on
Mon Mar 31 22:43:13 GMT 2025
|
| Record UNII |
7OTJ8V5GID
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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7OTJ8V5GID
Created by
admin on Mon Mar 31 22:43:13 GMT 2025 , Edited by admin on Mon Mar 31 22:43:13 GMT 2025
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PRIMARY | |||
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1379578-66-1
Created by
admin on Mon Mar 31 22:43:13 GMT 2025 , Edited by admin on Mon Mar 31 22:43:13 GMT 2025
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91810679
Created by
admin on Mon Mar 31 22:43:13 GMT 2025 , Edited by admin on Mon Mar 31 22:43:13 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
URINE
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