Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C43H58N4O13 |
| Molecular Weight | 838.9396 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)C(\C=N\N5CC[N+](C)([O-])CC5)=C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C4C(O)=C3C
InChI
InChIKey=HLBLHKPXLRRUNR-WLSIYKJHSA-N
InChI=1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-46-15-17-47(9,56)18-16-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
| Molecular Formula | C43H58N4O13 |
| Molecular Weight | 838.9396 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:20:05 GMT 2023
by
admin
on
Sat Dec 16 14:20:05 GMT 2023
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| Record UNII |
QHT9Z36XBP
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID20966290
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137231149
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51963-55-4
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QHT9Z36XBP
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admin on Sat Dec 16 14:20:05 GMT 2023 , Edited by admin on Sat Dec 16 14:20:05 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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