Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H47NO13 |
| Molecular Weight | 725.7787 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=O)=C(O)C4=C3C2=O
InChI
InChIKey=BBNQHOMJRFAQBN-UPZFVJMDSA-N
InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
| Molecular Formula | C38H47NO13 |
| Molecular Weight | 725.7787 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:21:58 GMT 2025
by
admin
on
Wed Apr 02 07:21:58 GMT 2025
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| Record UNII |
C87UV623UL
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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C87UV623UL
Created by
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13292-22-3
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admin on Wed Apr 02 07:21:58 GMT 2025 , Edited by admin on Wed Apr 02 07:21:58 GMT 2025
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6438444
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admin on Wed Apr 02 07:21:58 GMT 2025 , Edited by admin on Wed Apr 02 07:21:58 GMT 2025
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DTXSID201043051
Created by
admin on Wed Apr 02 07:21:58 GMT 2025 , Edited by admin on Wed Apr 02 07:21:58 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |
FECAL
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