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+].[H][C@@]12CC[C@](O)(C(=O)COS([O-])(=O)=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C
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 | 22.9898 |
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
Sat Dec 16 00:40:36 GMT 2023
by
admin
on
Sat Dec 16 00:40:36 GMT 2023
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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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10Y95B632Z
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71586795
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2681-67-6
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admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
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15464
Created by
admin on Sat Dec 16 00:40:36 GMT 2023 , Edited by admin on Sat Dec 16 00:40:36 GMT 2023
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