Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C39H61NO14.H2O4S |
Molecular Weight | 1633.878 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C[C@@H](CCC)OC(=O)[C@@H](CC)[C@H](O)CC(=O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2.[H][C@]45C[C@@H](O[C@]6([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]6O)\C=C\C=C\C=C\C=C\C[C@@H](CCC)OC(=O)[C@@H](CC)[C@H](O)CC(=O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]4C(O)=O)O5
InChI
InChIKey=JXBSFGYXVRJLFD-DNUUDXMTSA-N
InChI=1S/2C39H61NO14.H2O4S/c2*1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26;1-5(2,3)4/h2*6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48);(H2,1,2,3,4)/b2*7-6+,10-8+,11-9+,18-12+;/t2*23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-;/m11./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C39H61NO14 |
Molecular Weight | 767.8999 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 14 / 14 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:12:59 GMT 2023
by
admin
on
Sat Dec 16 09:12:59 GMT 2023
|
Record UNII |
WD2Z4QD59V
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Record Status |
Validated (UNII)
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Record Version |
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-
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WD2Z4QD59V
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DTXSID501035681
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133082881
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m9624
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63182-90-1
Created by
admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |