Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H33ClO6 |
| Molecular Weight | 464.979 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])[C@H](Cl)CC4=CC(=O)C=C[C@]34C
InChI
InChIKey=UWIXIVHCXXXAFH-PJPOYQFUSA-N
InChI=1S/C25H33ClO6/c1-5-20(31)32-25(19(30)12-27)13(2)8-16-21-17(26)10-14-9-15(28)6-7-23(14,3)22(21)18(29)11-24(16,25)4/h6-7,9,13,16-18,21-22,27,29H,5,8,10-12H2,1-4H3/t13-,16+,17-,18+,21-,22+,23+,24+,25+/m1/s1
| Molecular Formula | C25H33ClO6 |
| Molecular Weight | 464.979 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:26:00 GMT 2023
by
admin
on
Fri Dec 15 16:26:00 GMT 2023
|
| Record UNII |
231UC5GM4N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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231UC5GM4N
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76576-24-4
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DTXSID50227381
Created by
admin on Fri Dec 15 16:26:00 GMT 2023 , Edited by admin on Fri Dec 15 16:26:00 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> DEGRADENT |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE ACTIVE | |||
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PARENT -> METABOLITE ACTIVE |