Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H43NO16S |
| Molecular Weight | 825.832 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C3=C(C(=O)C4=CC=C(OCCN5CCCCC5)C=C4)C6=C(S3)C=C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C=C6)O[C@@H]([C@H]1O)C(O)=O
InChI
InChIKey=PCIAOPAUTIPRHI-SLTHDDBBSA-N
InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-13-12-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)18-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,50)(H,51,52)/t28-,29-,30-,31-,32+,33+,34-,35-,39+,40+/m0/s1
| Molecular Formula | C40H43NO16S |
| Molecular Weight | 825.832 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:54:59 GMT 2023
by
admin
on
Sat Dec 16 07:54:59 GMT 2023
|
| Record UNII |
JDB040T4BJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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JDB040T4BJ
Created by
admin on Sat Dec 16 07:54:59 GMT 2023 , Edited by admin on Sat Dec 16 07:54:59 GMT 2023
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PRIMARY | |||
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182507-20-6
Created by
admin on Sat Dec 16 07:54:59 GMT 2023 , Edited by admin on Sat Dec 16 07:54:59 GMT 2023
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71751917
Created by
admin on Sat Dec 16 07:54:59 GMT 2023 , Edited by admin on Sat Dec 16 07:54:59 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL; PLASMA; URINE
|
