Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H34O8.H2O |
Molecular Weight | 480.5479 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C
InChI
InChIKey=AFLWPAGYTPJSEY-CODXZCKSSA-N
InChI=1S/C25H34O8.H2O/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);1H2/t16-,17-,18-,22+,23-,24-,25-;/m0./s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C25H34O8 |
Molecular Weight | 462.5327 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:47 UTC 2023
by
admin
on
Fri Dec 15 15:01:47 UTC 2023
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Record UNII |
LIU00Z1Z84
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English | ||
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C521
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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Code System | Code | Type | Description | ||
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757049
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LIU00Z1Z84
Created by
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219121
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83784-20-7
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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DBSALT002780
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admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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CHEMBL977
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admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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C007133
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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C61786
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admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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DTXSID80894227
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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SUB22787
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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1319002
Created by
admin on Fri Dec 15 15:01:47 UTC 2023 , Edited by admin on Fri Dec 15 15:01:47 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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