Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C34H34N2O13 |
| Molecular Weight | 678.6394 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(CCOC2=CC=C(CN(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(=O)OC4=CC=C(O)C=C4)C=C2)N=C(O1)C5=CC=CC=C5
InChI
InChIKey=XPWHHVISGFEZFK-RIJOFNGHSA-N
InChI=1S/C34H34N2O13/c1-19-25(35-31(46-19)21-5-3-2-4-6-21)15-16-45-23-11-7-20(8-12-23)17-36(34(44)47-24-13-9-22(37)10-14-24)18-26(38)48-33-29(41)27(39)28(40)30(49-33)32(42)43/h2-14,27-30,33,37,39-41H,15-18H2,1H3,(H,42,43)/t27-,28-,29+,30-,33+/m0/s1
| Molecular Formula | C34H34N2O13 |
| Molecular Weight | 678.6394 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:04:41 GMT 2023
by
admin
on
Sat Dec 16 16:04:41 GMT 2023
|
| Record UNII |
9QJI0UG9I1
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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9QJI0UG9I1
Created by
admin on Sat Dec 16 16:04:41 GMT 2023 , Edited by admin on Sat Dec 16 16:04:41 GMT 2023
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146675112
Created by
admin on Sat Dec 16 16:04:41 GMT 2023 , Edited by admin on Sat Dec 16 16:04:41 GMT 2023
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886984-59-4
Created by
admin on Sat Dec 16 16:04:41 GMT 2023 , Edited by admin on Sat Dec 16 16:04:41 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
BILE
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