Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4593 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
InChI
InChIKey=IAOAIURRHUUJPH-KJABMFNZSA-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/h5-6,11,13-16,18,22,24-25,27H,3-4,7-10H2,1-2H3/t11?,13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4593 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:27:24 GMT 2025
by
admin
on
Mon Mar 31 23:27:24 GMT 2025
|
| Record UNII |
JJG0VT98AX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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1379578-67-2
Created by
admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
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JJG0VT98AX
Created by
admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
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91810680
Created by
admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Catalyzed by two enzymes, the 4-ene-5.BETA.-reductase and the 4-ene-5.ALPHA.-reductase
MINOR
URINE
|
