Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H59O16.2H.3H2O.H4N |
| Molecular Weight | 894.0084 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[NH4+].O.O.O.[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
InChI
InChIKey=RSPXVECNDMCBGQ-YMYWBCTMSA-N
InChI=1S/C42H62O16.H3N.3H2O/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);1H3;3*1H2/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 | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H4N |
| Molecular Weight | 18.0385 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Sat Dec 16 09:33:02 UTC 2023
by
admin
on
Sat Dec 16 09:33:02 UTC 2023
|
| Record UNII |
78NEL3149I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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DBSALT002692
Created by
admin on Sat Dec 16 09:33:03 UTC 2023 , Edited by admin on Sat Dec 16 09:33:03 UTC 2023
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PRIMARY | |||
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2724236
Created by
admin on Sat Dec 16 09:33:03 UTC 2023 , Edited by admin on Sat Dec 16 09:33:03 UTC 2023
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PRIMARY | |||
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78NEL3149I
Created by
admin on Sat Dec 16 09:33:03 UTC 2023 , Edited by admin on Sat Dec 16 09:33:03 UTC 2023
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PRIMARY | |||
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911217-00-0
Created by
admin on Sat Dec 16 09:33:03 UTC 2023 , Edited by admin on Sat Dec 16 09:33:03 UTC 2023
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PRIMARY | |||
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DTXSID5047243
Created by
admin on Sat Dec 16 09:33:03 UTC 2023 , Edited by admin on Sat Dec 16 09:33:03 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |