Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C39H61NO14.7H2O.H2O4S |
| Molecular Weight | 1759.985 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 28 / 28 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.OS(O)(=O)=O.CCC[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C(O)=O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](CC)C(=O)O1)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O.CCC[C@@H]4C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]5O[C@@](O)(C[C@H](O)[C@H]5C(O)=O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](CC)C(=O)O4)O[C@@H]6O[C@H](C)[C@@H](O)[C@H](N)[C@@H]6O
InChI
InChIKey=OYVYLOLKWQDIDS-YQSTZTPSSA-N
InChI=1S/2C39H61NO14.H2O4S.7H2O/c2*1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26;1-5(2,3)4;;;;;;;/h2*6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48);(H2,1,2,3,4);7*1H2/b2*7-6+,10-8+,11-9+,18-12+;;;;;;;;/t2*23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-;;;;;;;;/m11......../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C39H61NO14 |
| Molecular Weight | 767.8999 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:34:18 GMT 2025
by
admin
on
Mon Mar 31 22:34:18 GMT 2025
|
| Record UNII |
I3U0ZQ054D
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English | ||
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Preferred Name | English |
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I3U0ZQ054D
Created by
admin on Mon Mar 31 22:34:18 GMT 2025 , Edited by admin on Mon Mar 31 22:34:18 GMT 2025
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PRIMARY | |||
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m9624
Created by
admin on Mon Mar 31 22:34:18 GMT 2025 , Edited by admin on Mon Mar 31 22:34:18 GMT 2025
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133082437
Created by
admin on Mon Mar 31 22:34:18 GMT 2025 , Edited by admin on Mon Mar 31 22:34:18 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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|
PARENT -> SALT/SOLVATE |
