Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.4774 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O)=C1
InChI
InChIKey=SDMADMBVKYOYQN-CSPRBKSFSA-N
InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5+,9-4+/t19-,21-,24-,26+/m1/s1
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.4774 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:46:47 GMT 2023
by
admin
on
Sat Dec 16 09:46:47 GMT 2023
|
| Record UNII |
5NWR3CM3L4
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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5NWR3CM3L4
Created by
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92135801
Created by
admin on Sat Dec 16 09:46:48 GMT 2023 , Edited by admin on Sat Dec 16 09:46:48 GMT 2023
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536981-78-9
Created by
admin on Sat Dec 16 09:46:48 GMT 2023 , Edited by admin on Sat Dec 16 09:46:48 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Methanol extracts of stevia dry leaves were directly used for LC-MS analysis. Efficient separation and resolution were achieved with diphenyl packing and acetonitrile/water as solvent in the HPLC method. Negative ion mode was used for all MS measurements.
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