Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H29FO4.H2O |
| Molecular Weight | 394.4769 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C
InChI
InChIKey=XMXIGEQXHQRVHJ-ABJXWZFZSA-N
InChI=1S/C22H29FO4.H2O/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24;/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3;1H2/t11-,13+,14+,16+,17+,19-,20-,21+,22+;/m1./s1
| Molecular Formula | C22H29FO4 |
| Molecular Weight | 376.4617 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:17:16 UTC 2023
by
admin
on
Sat Dec 16 18:17:16 UTC 2023
|
| Record UNII |
Z9Y6DNY6M2
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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Z9Y6DNY6M2
Created by
admin on Sat Dec 16 18:17:17 UTC 2023 , Edited by admin on Sat Dec 16 18:17:17 UTC 2023
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PRIMARY | |||
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66605376
Created by
admin on Sat Dec 16 18:17:17 UTC 2023 , Edited by admin on Sat Dec 16 18:17:17 UTC 2023
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PRIMARY | |||
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100000162566
Created by
admin on Sat Dec 16 18:17:17 UTC 2023 , Edited by admin on Sat Dec 16 18:17:17 UTC 2023
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PRIMARY | |||
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910908-82-6
Created by
admin on Sat Dec 16 18:17:17 UTC 2023 , Edited by admin on Sat Dec 16 18:17:17 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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