Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C45H73BNO15.Na |
| Molecular Weight | 901.86 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 17 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12CC[C@@H](C)[C@]3(O[B-]45O[C@@H](C(=O)O[C@H]6C[C@@H](CCC[C@@H](O)C1(C)C)O[C@@H]6C)[C@@]7(O4)O[C@@]([H])(CC[C@H]7C)C(C)(C)[C@@H](O)CCC=CC[C@H](OC(=O)[C@@H]3O5)[C@@H](C)OC(=O)[C@H](N)C(C)C)O2
InChI
InChIKey=CNJOVRNTHIZUOI-IAMSYOIKSA-N
InChI=1S/C45H73BNO15.Na/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45;/h11-12,24-38,48-49H,13-23,47H2,1-10H3;/q-1;+1/b12-11-;/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,44-,45-,46?;/m1./s1
| Molecular Formula | C45H72BNO15 |
| Molecular Weight | 877.862 |
| Charge | -1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 17 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:07:34 GMT 2023
by
admin
on
Sat Dec 16 08:07:34 GMT 2023
|
| Record UNII |
4009M2TI8K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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73425447
Created by
admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
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55222-09-8
Created by
admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
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4009M2TI8K
Created by
admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
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PRIMARY |
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ACTIVE MOIETY |