Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 4C42H59O16.9Mg |
Molecular Weight | 3498.378 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 76 / 76 |
E/Z Centers | 0 |
Charge | 6 |
SHOW SMILES / InChI
SMILES
[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@]1([H])O[C@H]2CC[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.[H][C@@]%14(O[C@@H]8[C@@H](O)[C@H](O)[C@H](O[C@]8([H])O[C@H]9CC[C@@]%10(C)[C@@]([H])(CC[C@]%11(C)[C@]%10([H])C(=O)C=C%12[C@]%13([H])C[C@](C)(CC[C@]%13(C)CC[C@@]%11%12C)C([O-])=O)C9(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%14O)C([O-])=O.[H][C@@]%21(O[C@@H]%15[C@@H](O)[C@H](O)[C@H](O[C@]%15([H])O[C@H]%16CC[C@@]%17(C)[C@@]([H])(CC[C@]%18(C)[C@]%17([H])C(=O)C=C%19[C@]%20([H])C[C@](C)(CC[C@]%20(C)CC[C@@]%18%19C)C([O-])=O)C%16(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%21O)C([O-])=O.[H][C@@]%28(O[C@@H]%22[C@@H](O)[C@H](O)[C@H](O[C@]%22([H])O[C@H]%23CC[C@@]%24(C)[C@@]([H])(CC[C@]%25(C)[C@]%24([H])C(=O)C=C%26[C@]%27([H])C[C@](C)(CC[C@]%27(C)CC[C@@]%25%26C)C([O-])=O)C%23(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%28O)C([O-])=O
InChI
InChIKey=JJEHQPDDSCFWJY-UTVHMKFVSA-B
InChI=1S/4C42H62O16.9Mg/c4*1-37(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;;;;;;;;;/h4*16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;;;;;;;/q;;;;9*+2/p-12/t4*19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;;;;;;/m0000........./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 | Mg |
Molecular Weight | 24.305 |
Charge | 2 |
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
Sat Dec 16 16:33:04 UTC 2023
by
admin
on
Sat Dec 16 16:33:04 UTC 2023
|
Record UNII |
4U2UBI61D7
|
Record Status |
Validated (UNII)
|
Record Version |
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-
Download
Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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444046-50-8
Created by
admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
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PRIMARY | |||
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691410-17-0
Created by
admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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154584823
Created by
admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
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PRIMARY | |||
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4U2UBI61D7
Created by
admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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