Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H33ClO9S |
| Molecular Weight | 581.074 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)COS(C)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C
InChI
InChIKey=AVTGVLGPYCPSRO-OKCRLJKSSA-N
InChI=1S/C28H33ClO9S/c1-16-12-20-19-8-7-17-13-18(30)9-10-25(17,2)27(19,29)22(31)14-26(20,3)28(16,23(32)15-37-39(4,34)35)38-24(33)21-6-5-11-36-21/h5-6,9-11,13,16,19-20,22,31H,7-8,12,14-15H2,1-4H3/t16-,19+,20+,22+,25+,26+,27+,28+/m1/s1
| Molecular Formula | C28H33ClO9S |
| Molecular Weight | 581.074 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:56:26 UTC 2023
by
admin
on
Sat Dec 16 18:56:26 UTC 2023
|
| Record UNII |
ADJ6C33CEK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1370190-08-1
Created by
admin on Sat Dec 16 18:56:26 UTC 2023 , Edited by admin on Sat Dec 16 18:56:26 UTC 2023
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PRIMARY | |||
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156613779
Created by
admin on Sat Dec 16 18:56:26 UTC 2023 , Edited by admin on Sat Dec 16 18:56:26 UTC 2023
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PRIMARY | |||
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ADJ6C33CEK
Created by
admin on Sat Dec 16 18:56:26 UTC 2023 , Edited by admin on Sat Dec 16 18:56:26 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
