Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H53N3O9.C4H6O6 |
| Molecular Weight | 857.9397 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]4([H])N(CCC5=C4N(CCN(CC)CC)C6=CC(OC)=CC=C56)C2
InChI
InChIKey=BLAYNXSEESFUHR-XIVVIQKRSA-N
InChI=1S/C39H53N3O9.C4H6O6/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5;5-1(3(7)8)2(6)4(9)10/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3;1-2,5-6H,(H,7,8)(H,9,10)/t24-,28+,30-,33-,34+,37+;1-,2-/m11/s1
| Molecular Formula | C39H53N3O9 |
| Molecular Weight | 707.8528 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:05:25 GMT 2023
by
admin
on
Sat Dec 16 10:05:25 GMT 2023
|
| Record UNII |
20AY3RFI45
|
| Record Status |
Validated (UNII)
|
| Record Version |
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20AY3RFI45
Created by
admin on Sat Dec 16 10:05:25 GMT 2023 , Edited by admin on Sat Dec 16 10:05:25 GMT 2023
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1111-44-0
Created by
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20055423
Created by
admin on Sat Dec 16 10:05:25 GMT 2023 , Edited by admin on Sat Dec 16 10:05:25 GMT 2023
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214-180-5
Created by
admin on Sat Dec 16 10:05:25 GMT 2023 , Edited by admin on Sat Dec 16 10:05:25 GMT 2023
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ACTIVE MOIETY |