Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H63NO14 |
| Molecular Weight | 757.9066 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(=O)O[C@@]1([H])[C@]([H])(C)O[C@]([H])(C[C@@]1(C)O)O[C@]2([H])[C@@]([H])(C)O[C@]([H])([C@@]([H])([C@@]2([H])N(C)C)O)O[C@@]3([H])[C@@]([H])(CC=O)C[C@@]([H])(C)[C@]([H])(/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C[C@@]([H])(C)OC(=O)C[C@]([H])([C@]3([H])OC)O)O
InChI
InChIKey=CQSPEFZMAFYKML-RQWHEHCQSA-N
InChI=1S/C38H63NO14/c1-10-28(43)51-36-24(5)49-30(20-38(36,6)46)52-33-23(4)50-37(32(45)31(33)39(7)8)53-34-25(16-17-40)18-21(2)26(41)15-13-11-12-14-22(3)48-29(44)19-27(42)35(34)47-9/h11-13,15,17,21-27,30-37,41-42,45-46H,10,14,16,18-20H2,1-9H3/b12-11+,15-13+/t21-,22-,23-,24+,25+,26+,27-,30+,31-,32-,33-,34+,35+,36+,37+,38-/m1/s1
| Molecular Formula | C38H63NO14 |
| Molecular Weight | 757.9066 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 14:48:16 UTC 2021
by
admin
on
Sat Jun 26 14:48:16 UTC 2021
|
| Record UNII |
H637LE4O5T
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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H637LE4O5T
Created by
admin on Sat Jun 26 14:48:16 UTC 2021 , Edited by admin on Sat Jun 26 14:48:16 UTC 2021
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5282326
Created by
admin on Sat Jun 26 14:48:16 UTC 2021 , Edited by admin on Sat Jun 26 14:48:16 UTC 2021
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18361-47-2
Created by
admin on Sat Jun 26 14:48:16 UTC 2021 , Edited by admin on Sat Jun 26 14:48:16 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLIC ENZYME -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
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