Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H26O9.2Na |
| Molecular Weight | 564.4909 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(OCC([O-])=O)C=C(OC)C=C3)C([O-])=O)C4=CC5=C(OCO5)C=C4
InChI
InChIKey=OVOBCPRQWFDVMR-CAUOMHEFSA-L
InChI=1S/C29H28O9.2Na/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22;;/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33);;/q;2*+1/p-2/t26-,27+,28+;;/m0../s1
| Molecular Formula | C29H26O9 |
| Molecular Weight | 518.5113 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Fri Dec 15 15:32:25 GMT 2023
by
admin
on
Fri Dec 15 15:32:25 GMT 2023
|
| Record UNII |
735U6B7489
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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12041396
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735U6B7489
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190965-49-2
Created by
admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
