Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H67NO13.C12H13NO5S |
| Molecular Weight | 1017.227 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1O)C(O)=O.[H][C@@]3(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C)[C@H]3C
InChI
InChIKey=CEKAAZRHRXXWDX-CQWDQVLCSA-N
InChI=1S/C37H67NO13.C12H13NO5S/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-7(14)13-9(11(16)17)6-19-12(18)8-4-2-3-5-10(8)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-5,9,15H,6H2,1H3,(H,13,14)(H,16,17)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;9-/m10/s1
| Molecular Formula | C37H67NO13 |
| Molecular Weight | 733.9268 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C12H13NO5S |
| Molecular Weight | 283.3 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:42:42 UTC 2023
by
admin
on
Sat Dec 16 09:42:42 UTC 2023
|
| Record UNII |
A45292J59T
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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A45292J59T
Created by
admin on Sat Dec 16 09:42:42 UTC 2023 , Edited by admin on Sat Dec 16 09:42:42 UTC 2023
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87573-04-4
Created by
admin on Sat Dec 16 09:42:42 UTC 2023 , Edited by admin on Sat Dec 16 09:42:42 UTC 2023
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9854689
Created by
admin on Sat Dec 16 09:42:42 UTC 2023 , Edited by admin on Sat Dec 16 09:42:42 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
