Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C42H59O16.2K.H |
Molecular Weight | 899.1128 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[K+].[K+].[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@]2([H])CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(CC[C@]6(C)CC[C@@]45C)C([O-])=O)C2(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C([O-])=O
InChI
InChIKey=BIVBRWYINDPWKA-VLQRKCJKSA-L
InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
Molecular Formula | C42H59O16 |
Molecular Weight | 819.9083 |
Charge | -3 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | K |
Molecular Weight | 39.0983 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H |
Molecular Weight | 1.0079 |
Charge | 1 |
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 16:13:59 UTC 2023
by
admin
on
Fri Dec 15 16:13:59 UTC 2023
|
Record UNII |
CA2Y0FE3FX
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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272-296-1
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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DBSALT002693
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admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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68039-19-0
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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C80931
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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CA2Y0FE3FX
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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656852
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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CHEMBL441687
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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100000085835
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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DTXSID501015077
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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CA2Y0FE3FX
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | |||
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C45678
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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CONCEPT | Industrial Aid | ||
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1367264
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY | RxNorm | ||
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68797-35-3
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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SUB22293
Created by
admin on Fri Dec 15 16:13:59 UTC 2023 , Edited by admin on Fri Dec 15 16:13:59 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |