Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H27O8S.Na |
Molecular Weight | 462.489 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 7 / 7 |
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)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C
InChI
InChIKey=LTWZNVWFOGRESW-WDCKKOMHSA-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;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,16-,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 | 7 / 7 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:09:34 GMT 2023
by
admin
on
Sat Dec 16 15:09:34 GMT 2023
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Record UNII |
W5M3C09LEA
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Record Status |
Validated (UNII)
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Record Version |
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SUB04020MIG
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100000085074
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W5M3C09LEA
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SUB04020MIG
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222-925-0
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3664-95-7
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |