Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H74N2O12.2H2O |
| Molecular Weight | 799.0416 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChI
InChIKey=CKYKXJQABMTQNW-MYYRUWGZSA-N
InChI=1S/C39H74N2O12.2H2O/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29;;/h21-34,36,42-44,46-47H,15-20H2,1-14H3;2*1H2/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-;;/m1../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 | C39H74N2O12 |
| Molecular Weight | 763.0111 |
| 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
Mon Mar 31 21:34:49 GMT 2025
by
admin
on
Mon Mar 31 21:34:49 GMT 2025
|
| Record UNII |
1W94220R38
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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1W94220R38
Created by
admin on Mon Mar 31 21:34:49 GMT 2025 , Edited by admin on Mon Mar 31 21:34:49 GMT 2025
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PRIMARY | |||
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76967856
Created by
admin on Mon Mar 31 21:34:49 GMT 2025 , Edited by admin on Mon Mar 31 21:34:49 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
