Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C38H72N2O12.C2H6O.2H2O |
| Molecular Weight | 1580.068 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 36 / 36 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CCO.[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]2[C@H](C)[C@@H](O[C@]3([H])O[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@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C.[H][C@@]4(C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)O[C@H]5[C@H](C)[C@@H](O[C@]6([H])O[C@H](C)C[C@@H]([C@H]6O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]5C
InChI
InChIKey=FEWUYCASOAUDHD-LCPFZDPDSA-N
InChI=1S/2C38H72N2O12.C2H6O.2H2O/c2*1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;1-2-3;;/h2*20-33,35,41-43,45-46H,15-19H2,1-14H3;3H,2H2,1H3;2*1H2/t2*20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;;/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 | C2H6O |
| Molecular Weight | 46.0684 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C38H72N2O12 |
| Molecular Weight | 748.9845 |
| 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
Sat Dec 16 07:59:45 UTC 2023
by
admin
on
Sat Dec 16 07:59:45 UTC 2023
|
| Record UNII |
S548K9P0TK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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72710772
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S548K9P0TK
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100000137670
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554432-19-8
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SUB76217
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admin on Sat Dec 16 07:59:46 UTC 2023 , Edited by admin on Sat Dec 16 07:59:46 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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