Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H28NO3.C7H7O3S.H2O |
Molecular Weight | 507.639 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=CC=C(C=C1)S([O-])(=O)=O.C[N+]2(C)CC[C@@H](C2)OC(=O)[C@](O)(C3CCCC3)C4=CC=CC=C4
InChI
InChIKey=UOWOLENSDISMPG-UKWJXJBFSA-M
InChI=1S/C19H28NO3.C7H8O3S.H2O/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2/q+1;;/p-1/t17-,19+;;/m0../s1
Approval Year
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Code System | Code | Type | Description | ||
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126480298
Created by
admin on Sat Dec 16 11:30:22 GMT 2023 , Edited by admin on Sat Dec 16 11:30:22 GMT 2023
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0GNP284YDH
Created by
admin on Sat Dec 16 11:30:22 GMT 2023 , Edited by admin on Sat Dec 16 11:30:22 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD