Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C23H31NO4S |
| Molecular Weight | 417.562 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | UNKNOWN STEREO AT UNDEFINED SITE |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(CSC[C@H](N)C(O)=O)C4=CC(=O)C=C[C@]34C
InChI
InChIKey=RLCJGRASSYLVFL-CIZMPNFHSA-N
InChI=1S/C23H31NO4S/c1-22-7-5-14(25)10-18(22)13(11-29-12-19(24)21(27)28)9-15-16-3-4-20(26)23(16,2)8-6-17(15)22/h5,7,10,13,15-17,19H,3-4,6,8-9,11-12,24H2,1-2H3,(H,27,28)/t13?,15-,16-,17-,19-,22+,23-/m0/s1
| Molecular Formula | C23H31NO4S |
| Molecular Weight | 417.562 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:09:37 GMT 2023
by
admin
on
Sat Dec 16 16:09:37 GMT 2023
|
| Record UNII |
U455AK63X8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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U455AK63X8
Created by
admin on Sat Dec 16 16:09:37 GMT 2023 , Edited by admin on Sat Dec 16 16:09:37 GMT 2023
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PRIMARY | |||
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165412042
Created by
admin on Sat Dec 16 16:09:37 GMT 2023 , Edited by admin on Sat Dec 16 16:09:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
PLASMA; URINE
|
