Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H33FO4.H2O |
| Molecular Weight | 482.5836 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(CC6=C(C2)C=CC=C6)C(=O)CO
InChI
InChIKey=XBGQGAPUUJJOTA-KWLUMGGGSA-N
InChI=1S/C29H33FO4.H2O/c1-26-10-9-21(32)12-19(26)7-8-22-23-13-20-11-17-5-3-4-6-18(17)14-28(20,25(34)16-31)27(23,2)15-24(33)29(22,26)30;/h3-6,9-10,12,20,22-24,31,33H,7-8,11,13-16H2,1-2H3;1H2/t20-,22+,23+,24+,26+,27+,28-,29+;/m1./s1
Approval Year
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Code | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C521
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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| Code System | Code | Type | Description | ||
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C90956
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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CHEMBL2107160
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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T-78
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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4B52439Y33
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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DTXSID201001451
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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80738-47-2
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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PRIMARY | |||
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C047313
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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PRIMARY | |||
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6917656
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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PRIMARY | |||
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100000084454
Created by
admin on Fri Dec 15 15:52:03 UTC 2023 , Edited by admin on Fri Dec 15 15:52:03 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
