Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C47H71NO10P.Ca |
Molecular Weight | 1722.16 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 20 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OC[C@H](N)C(O)=O.CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OC[C@H](N)C(O)=O
InChI
InChIKey=WQHSICGELLFGCC-JCYCRQSBSA-L
InChI=1S/2C47H72NO10P.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*5-8,11-14,17-20,23-26,29-32,43-44H,3-4,9-10,15-16,21-22,27-28,33-42,48H2,1-2H3,(H,51,52)(H,53,54);/q;;+2/p-2/b2*7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-;/t2*43-,44+;/m11./s1
Approval Year
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DBSALT002729
Created by
admin on Fri Dec 15 16:41:47 GMT 2023 , Edited by admin on Fri Dec 15 16:41:47 GMT 2023
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9ABD9DRK7B
Created by
admin on Fri Dec 15 16:41:47 GMT 2023 , Edited by admin on Fri Dec 15 16:41:47 GMT 2023
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1549118
Created by
admin on Fri Dec 15 16:41:47 GMT 2023 , Edited by admin on Fri Dec 15 16:41:47 GMT 2023
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9ABD9DRK7B
Created by
admin on Fri Dec 15 16:41:47 GMT 2023 , Edited by admin on Fri Dec 15 16:41:47 GMT 2023
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76967404
Created by
admin on Fri Dec 15 16:41:47 GMT 2023 , Edited by admin on Fri Dec 15 16:41:47 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD