Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H37ClO7.H2O |
Molecular Weight | 539.057 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C
InChI
InChIKey=QHQJZIXSVLFOHD-LYRZEVDOSA-N
InChI=1S/C28H37ClO7.H2O/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5;/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3;1H2/t16-,19-,20-,21-,25-,26-,27-,28-;/m0./s1
Molecular Formula | C28H37ClO7 |
Molecular Weight | 521.042 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:18 UTC 2023
by
admin
on
Fri Dec 15 15:55:18 UTC 2023
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Record UNII |
4H7L9AI22I
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C521
Created by
admin on Fri Dec 15 15:55:19 UTC 2023 , Edited by admin on Fri Dec 15 15:55:19 UTC 2023
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Code System | Code | Type | Description | ||
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77011-63-3
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DTXSID00227831
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253156
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4H7L9AI22I
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CHEMBL1200500
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4H7L9AI22I
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100000089858
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16052009
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SUB26308
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DBSALT001373
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C61644
Created by
admin on Fri Dec 15 15:55:19 UTC 2023 , Edited by admin on Fri Dec 15 15:55:19 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |