Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C40H69NO12.C4H4O4 |
| Molecular Weight | 1628.0229 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 32 / 32 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.[H][C@@]2(O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(OC)C(=O)[C@@H](C)C3=C(C)C[C@@](C)(O3)[C@]([H])(O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C(C)C)[C@H]2C.[H][C@@]6(O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(OC)C(=O)[C@@H](C)C7=C(C)C[C@@](C)(O7)[C@]([H])(O[C@@H]8O[C@H](C)C[C@@H]([C@H]8O)N(C)C(C)C)[C@H]6C
InChI
InChIKey=KQRXEQGYUDDPNW-QXRSSOOUSA-N
InChI=1S/2C40H69NO12.C4H4O4/c2*1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29;5-3(6)1-2-4(7)8/h2*20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m11./s1
Approval Year
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300000044523
Created by
admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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DBSALT002825
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admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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MM-18
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admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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CHEMBL2110756
Created by
admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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154802-96-7
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admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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C170187
Created by
admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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XU63LQ260J
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DTXSID101027165
Created by
admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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11513721
Created by
admin on Fri Dec 15 15:55:38 UTC 2023 , Edited by admin on Fri Dec 15 15:55:38 UTC 2023
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD