Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H31ClO8S |
| Molecular Weight | 563.059 |
| 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)(C4=CS(=O)(=O)OC4)[C@@]1(C)C[C@H](O)[C@@]5(Cl)[C@@]2([H])CCC6=CC(=O)C=C[C@]56C
InChI
InChIKey=CICBZJUKOHKGNN-YRGVOICOSA-N
InChI=1S/C28H31ClO8S/c1-16-11-21-20-7-6-17-12-19(30)8-9-25(17,2)27(20,29)23(31)13-26(21,3)28(16,18-14-36-38(33,34)15-18)37-24(32)22-5-4-10-35-22/h4-5,8-10,12,15-16,20-21,23,31H,6-7,11,13-14H2,1-3H3/t16-,20+,21+,23+,25+,26+,27+,28+/m1/s1
| Molecular Formula | C28H31ClO8S |
| Molecular Weight | 563.059 |
| 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 18:54:18 GMT 2023
by
admin
on
Sat Dec 16 18:54:18 GMT 2023
|
| Record UNII |
8MZU56S9QP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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15454210
Created by
admin on Sat Dec 16 18:54:19 GMT 2023 , Edited by admin on Sat Dec 16 18:54:19 GMT 2023
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PRIMARY | |||
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223776-49-6
Created by
admin on Sat Dec 16 18:54:18 GMT 2023 , Edited by admin on Sat Dec 16 18:54:18 GMT 2023
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PRIMARY | |||
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8MZU56S9QP
Created by
admin on Sat Dec 16 18:54:18 GMT 2023 , Edited by admin on Sat Dec 16 18:54:18 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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|
