Details
| Stereochemistry | MIXED |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4601 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@]12C=CC([H])(CC2([H])CC[C@@]3([H])[C@]4([H])C[C@]([H])([C@](C(=O)CO)([C@@]4(C)CC(=O)[C@@]31[H])O)O)O
InChI
InChIKey=KCCKOAMJUDFXOF-OSPVKULHSA-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/h5-6,11-14,16,18,22-23,25,27H,3-4,7-10H2,1-2H3/t11?,12?,13-,14-,16+,18+,19-,20-,21-/m0/s1
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.4601 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 09:53:45 UTC 2021
by
admin
on
Sat Jun 26 09:53:45 UTC 2021
|
| Record UNII |
XVV1YX4V1J
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
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1379578-69-4
Created by
admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
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XVV1YX4V1J
Created by
admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
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91810682
Created by
admin on Sat Jun 26 09:53:45 UTC 2021 , Edited by admin on Sat Jun 26 09:53:45 UTC 2021
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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. The second stage utilizes the enzymes 3.ALPHA.- and, to a much lesser extent, 3.BETA.-hydroxysteroid dehydrogenases
MINOR
URINE
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