Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C43H65N5O11 |
| Molecular Weight | 828.0031 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@]([H])(O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN4C=NC(=C4)C5=CC=C[N+]([O-])=C5
InChI
InChIKey=GWCLRMHFMIWTLO-PNUFFHFMSA-N
InChI=1S/C43H65N5O11/c1-12-33-43(8)37(48(41(53)59-43)19-14-13-17-46-23-31(44-24-46)30-16-15-18-47(54)22-30)27(4)34(49)25(2)21-42(7,55-11)38(28(5)35(50)29(6)39(52)57-33)58-40-36(51)32(45(9)10)20-26(3)56-40/h15-16,18,22-29,32-33,36-38,40,51H,12-14,17,19-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
| Molecular Formula | C43H65N5O11 |
| Molecular Weight | 828.0031 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:16:03 UTC 2023
by
admin
on
Sat Dec 16 15:16:03 UTC 2023
|
| Record UNII |
C9HE57KX3C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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C9HE57KX3C
Created by
admin on Sat Dec 16 15:16:03 UTC 2023 , Edited by admin on Sat Dec 16 15:16:03 UTC 2023
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156613685
Created by
admin on Sat Dec 16 15:16:03 UTC 2023 , Edited by admin on Sat Dec 16 15:16:03 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
PLASMA
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PARENT -> METABOLITE |
URINE
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