Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C17H20NO4.I |
| Molecular Weight | 429.2495 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C4=C(C2)C=C5OCOC5=C4
InChI
InChIKey=QWPJQWHIXCZTRG-XUPBFBPUSA-M
InChI=1S/C17H20NO4.HI/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18;/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3;1H/q+1;/p-1/t12-,15-,16+,17+,18?;/m0./s1
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.3371 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | HI |
| Molecular Weight | 127.91241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:22:37 GMT 2025
by
admin
on
Mon Mar 31 22:22:37 GMT 2025
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| Record UNII |
857US6JQDY
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| Record Status |
Validated (UNII)
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| Record Version |
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15069-99-5
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44659631
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m6957
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admin on Mon Mar 31 22:22:37 GMT 2025 , Edited by admin on Mon Mar 31 22:22:37 GMT 2025
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PRIMARY | Merck Index | ||
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300000017205
Created by
admin on Mon Mar 31 22:22:37 GMT 2025 , Edited by admin on Mon Mar 31 22:22:37 GMT 2025
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857US6JQDY
Created by
admin on Mon Mar 31 22:22:37 GMT 2025 , Edited by admin on Mon Mar 31 22:22:37 GMT 2025
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PRIMARY |