Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H43F3O2.H2O |
| Molecular Weight | 474.6396 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F
InChI
InChIKey=HKNNYWDGSYAQFH-CRGCRRJUSA-N
InChI=1S/C27H43F3O2.H2O/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4;/h6,17,19-22,31-32H,7-16H2,1-5H3;1H2/t17-,19+,20-,21+,22+,23+,24+,25-,26+;/m1./s1
| Molecular Formula | C27H43F3O2 |
| Molecular Weight | 456.6243 |
| 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 20:19:48 UTC 2023
by
admin
on
Sat Dec 16 20:19:48 UTC 2023
|
| Record UNII |
779URY8WPZ
|
| 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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779URY8WPZ
Created by
admin on Sat Dec 16 20:19:48 UTC 2023 , Edited by admin on Sat Dec 16 20:19:48 UTC 2023
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PRIMARY | |||
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2989896-72-0
Created by
admin on Sat Dec 16 20:19:48 UTC 2023 , Edited by admin on Sat Dec 16 20:19:48 UTC 2023
|
PRIMARY |
| 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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