Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C17H19NO3.H2O4S |
Molecular Weight | 668.754 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]12OC3=C4C(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O)=CC=C3OC.[H][C@@]67OC8=C9C(C[C@@]%10([H])NCC[C@@]69[C@@]%10([H])C=C[C@@H]7O)=CC=C8OC
InChI
InChIKey=JAUMZGYLEYAADU-KWFBBHJPSA-N
InChI=1S/2C17H19NO3.H2O4S/c2*1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16;1-5(2,3)4/h2*2-5,10-12,16,18-19H,6-8H2,1H3;(H2,1,2,3,4)/t2*10-,11+,12-,16-,17-;/m00./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C17H19NO3 |
Molecular Weight | 285.3377 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:14:21 GMT 2023
by
admin
on
Sat Dec 16 10:14:21 GMT 2023
|
Record UNII |
F4XWM853CQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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92135626
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6035-25-2
Created by
admin on Sat Dec 16 10:14:22 GMT 2023 , Edited by admin on Sat Dec 16 10:14:22 GMT 2023
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F4XWM853CQ
Created by
admin on Sat Dec 16 10:14:22 GMT 2023 , Edited by admin on Sat Dec 16 10:14:22 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |