Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H30O9 |
| Molecular Weight | 426.4575 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(C)C=C1
InChI
InChIKey=CJMNXSKEVNPQOK-LVEJAMMSSA-N
InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1
| Molecular Formula | C21H30O9 |
| Molecular Weight | 426.4575 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:50:27 GMT 2023
by
admin
on
Sat Dec 16 13:50:27 GMT 2023
|
| Record UNII |
954F30WZ3Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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91683-38-4
Created by
admin on Sat Dec 16 13:50:27 GMT 2023 , Edited by admin on Sat Dec 16 13:50:27 GMT 2023
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88127
Created by
admin on Sat Dec 16 13:50:27 GMT 2023 , Edited by admin on Sat Dec 16 13:50:27 GMT 2023
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954F30WZ3Y
Created by
admin on Sat Dec 16 13:50:27 GMT 2023 , Edited by admin on Sat Dec 16 13:50:27 GMT 2023
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DTXSID90919591
Created by
admin on Sat Dec 16 13:50:27 GMT 2023 , Edited by admin on Sat Dec 16 13:50:27 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TRANSPORTER -> INHIBITOR |
Ki
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
