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
[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]2(C)[C@@]1(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 | 7 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 05:59:48 UTC 2022
by
admin
on
Sun Dec 18 05:59:48 UTC 2022
|
| Record UNII |
JJG0VT98AX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1379578-67-2
Created by
admin on Sun Dec 18 05:59:48 UTC 2022 , Edited by admin on Sun Dec 18 05:59:48 UTC 2022
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PRIMARY | |||
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JJG0VT98AX
Created by
admin on Sun Dec 18 05:59:48 UTC 2022 , Edited by admin on Sun Dec 18 05:59:48 UTC 2022
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PRIMARY | |||
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91810680
Created by
admin on Sun Dec 18 05:59:48 UTC 2022 , Edited by admin on Sun Dec 18 05:59:48 UTC 2022
|
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
|
