Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C25H34O7 |
| Molecular Weight | 446.5333 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)[C@H](O)CC)C(=O)CO
InChI
InChIKey=OBFKEHNWUXWRPI-OPDUSQHYSA-N
InChI=1S/C25H34O7/c1-4-17(28)22-31-20-10-16-15-6-5-13-9-14(27)7-8-23(13,2)21(15)18(29)11-24(16,3)25(20,32-22)19(30)12-26/h7-9,15-18,20-22,26,28-29H,4-6,10-12H2,1-3H3/t15-,16-,17+,18-,20+,21+,22?,23-,24-,25+/m0/s1
| Molecular Formula | C25H34O7 |
| Molecular Weight | 446.5333 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:27:34 UTC 2023
by
admin
on
Sat Dec 16 18:27:34 UTC 2023
|
| Record UNII |
5SA93HL5I8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1453293-92-9
Created by
admin on Sat Dec 16 18:27:34 UTC 2023 , Edited by admin on Sat Dec 16 18:27:34 UTC 2023
|
PRIMARY | |||
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109423-03-2
Created by
admin on Sat Dec 16 18:27:34 UTC 2023 , Edited by admin on Sat Dec 16 18:27:34 UTC 2023
|
NON-SPECIFIC STEREOCHEMISTRY | |||
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5SA93HL5I8
Created by
admin on Sat Dec 16 18:27:34 UTC 2023 , Edited by admin on Sat Dec 16 18:27:34 UTC 2023
|
PRIMARY | |||
|
91810696
Created by
admin on Sat Dec 16 18:27:34 UTC 2023 , Edited by admin on Sat Dec 16 18:27:34 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
URINE
|
