Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H27O8S.Na |
| Molecular Weight | 462.489 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS([O-])(=O)=O
InChI
InChIKey=CKCQAVLXEMPVTM-HNGAPHHWSA-M
InChI=1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,18+,19-,20-,21-;/m0./s1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H27O8S |
| Molecular Weight | 439.499 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:38:53 GMT 2025
by
admin
on
Mon Mar 31 20:38:53 GMT 2025
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| Record UNII |
10Y95B632Z
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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71586795
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2681-67-6
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15464
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admin on Mon Mar 31 20:38:53 GMT 2025 , Edited by admin on Mon Mar 31 20:38:53 GMT 2025
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