Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H69NO15.C4H6O6 |
| Molecular Weight | 978.0818 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(C)=O
InChI
InChIKey=JQNRIJLSJBERBX-DFABUGIMSA-N
InChI=1S/C42H69NO15.C4H6O6/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45;5-1(3(7)8)2(6)4(9)10/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3;1-2,5-6H,(H,7,8)(H,9,10)/b13-12+,16-14+;/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-;1-,2-/m11/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C42H69NO15 |
| Molecular Weight | 827.995 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:46:14 GMT 2025
by
admin
on
Mon Mar 31 17:46:14 GMT 2025
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| Record UNII |
PH728K04HS
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| Record Status |
Validated (UNII)
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| Record Version |
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52454-74-7
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admin on Mon Mar 31 17:46:14 GMT 2025 , Edited by admin on Mon Mar 31 17:46:14 GMT 2025
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NON-SPECIFIC STOICHIOMETRY | |||
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PH728K04HS
Created by
admin on Mon Mar 31 17:46:14 GMT 2025 , Edited by admin on Mon Mar 31 17:46:14 GMT 2025
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PRIMARY | |||
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6445955
Created by
admin on Mon Mar 31 17:46:14 GMT 2025 , Edited by admin on Mon Mar 31 17:46:14 GMT 2025
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52610-01-2
Created by
admin on Mon Mar 31 17:46:14 GMT 2025 , Edited by admin on Mon Mar 31 17:46:14 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |
