Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H34O10.K.Na |
| Molecular Weight | 592.6516 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[K+].[H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CC[C@@H](OC(=O)CCC([O-])=O)[C@@]2(C)COC(=O)CCC([O-])=O
InChI
InChIKey=KYEPHZAHIRDQSR-SXASYTFBSA-L
InChI=1S/C28H36O10.K.Na/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30;;/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/b6-5+;;/t19-,20+,21-,27+,28+;;/m1../s1
| 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 |
| Molecular Formula | C28H34O10 |
| Molecular Weight | 530.5636 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | K |
| Molecular Weight | 39.0983 |
| 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
Sat Dec 16 18:46:13 UTC 2023
by
admin
on
Sat Dec 16 18:46:13 UTC 2023
|
| Record UNII |
4OCV4ALL6P
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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4OCV4ALL6P
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863319-40-8
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73351134
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admin on Sat Dec 16 18:46:13 UTC 2023 , Edited by admin on Sat Dec 16 18:46:13 UTC 2023
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100000174325
Created by
admin on Sat Dec 16 18:46:13 UTC 2023 , Edited by admin on Sat Dec 16 18:46:13 UTC 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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