Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C45H54F4O9S2 |
| Molecular Weight | 879.028 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SSC(=O)[C@@]5(O)[C@H](C)C[C@H]6[C@@H]7C[C@H](F)C8=CC(=O)C=C[C@]8(C)[C@@]7(F)[C@@H](O)C[C@]56C
InChI
InChIKey=XADXWXXIGXPRNO-SBIVQUOYSA-N
InChI=1S/C45H54F4O9S2/c1-8-35(54)58-45(22(3)14-26-28-18-32(47)30-16-24(51)10-12-39(30,5)43(28,49)34(53)20-41(26,45)7)37(56)60-59-36(55)44(57)21(2)13-25-27-17-31(46)29-15-23(50)9-11-38(29,4)42(27,48)33(52)19-40(25,44)6/h9-12,15-16,21-22,25-28,31-34,52-53,57H,8,13-14,17-20H2,1-7H3/t21-,22-,25+,26+,27+,28+,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
| Molecular Formula | C45H54F4O9S2 |
| Molecular Weight | 879.028 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:44:08 GMT 2025
by
admin
on
Wed Apr 02 12:44:08 GMT 2025
|
| Record UNII |
ETY5QGU5JY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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ETY5QGU5JY
Created by
admin on Wed Apr 02 12:44:08 GMT 2025 , Edited by admin on Wed Apr 02 12:44:08 GMT 2025
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201812-62-6
Created by
admin on Wed Apr 02 12:44:08 GMT 2025 , Edited by admin on Wed Apr 02 12:44:08 GMT 2025
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162623627
Created by
admin on Wed Apr 02 12:44:08 GMT 2025 , Edited by admin on Wed Apr 02 12:44:08 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
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