Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H29ClO6 |
Molecular Weight | 424.915 |
Optical Activity | ( + ) |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](COC1=CC=CC(Cl)=C1)\C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O
InChI
InChIKey=VJGGHXVGBSZVMZ-QIZQQNKQSA-N
InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
Molecular Formula | C22H29ClO6 |
Molecular Weight | 424.915 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:12:18 UTC 2023
by
admin
on
Fri Dec 15 16:12:18 UTC 2023
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Record UNII |
52EJR3Y9IN
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Record Status |
Validated (UNII)
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Record Version |
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-
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300000031271
Created by
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54276-21-0
Created by
admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023
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5311053
Created by
admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023
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52EJR3Y9IN
Created by
admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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RACEMATE -> ENANTIOMER |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |