Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C33H43N3O4.2C4H4O4 |
| Molecular Weight | 777.8565 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.COC1=CC=C(OC)C2=C1NC(CCCN(C)CC[C@@]3(C[C@H]4CC[C@@H]3C=C4C5=CC=CC=C5)OC(=O)C(C)C)=N2
InChI
InChIKey=XCOMDWDKJAXYDF-YCAFZAMQSA-N
InChI=1S/C33H43N3O4.2C4H4O4/c1-22(2)32(37)40-33(21-24-13-14-25(33)20-26(24)23-10-7-6-8-11-23)17-19-36(3)18-9-12-29-34-30-27(38-4)15-16-28(39-5)31(30)35-29;2*5-3(6)1-2-4(7)8/h6-8,10-11,15-16,20,22,24-25H,9,12-14,17-19,21H2,1-5H3,(H,34,35);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t24-,25-,33+;;/m1../s1
| Molecular Formula | C33H43N3O4 |
| Molecular Weight | 545.7122 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | ( - ) |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:00:58 GMT 2025
by
admin
on
Wed Apr 02 20:00:58 GMT 2025
|
| Record UNII |
N2ZP3P57AR
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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154701411
Created by
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N2ZP3P57AR
Created by
admin on Wed Apr 02 20:00:58 GMT 2025 , Edited by admin on Wed Apr 02 20:00:58 GMT 2025
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1537197-53-7
Created by
admin on Wed Apr 02 20:00:58 GMT 2025 , Edited by admin on Wed Apr 02 20:00:58 GMT 2025
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300000047883
Created by
admin on Wed Apr 02 20:00:58 GMT 2025 , Edited by admin on Wed Apr 02 20:00:58 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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