Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H21NO3.C8H6O4 |
Molecular Weight | 465.4951 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.[H][C@@]23OC4=C(OC)C=CC5=C4[C@@]26CCN(C)[C@H](C5)[C@]6([H])CCC3=O
InChI
InChIKey=UHOONLSENBOUFP-RNWHKREASA-N
InChI=1S/C18H21NO3.C8H6O4/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;9-7(10)5-1-2-6(4-3-5)8(11)12/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)/t11-,12+,17-,18-;/m0./s1
Molecular Formula | C18H21NO3 |
Molecular Weight | 299.3642 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C8H6O4 |
Molecular Weight | 166.1308 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:12:15 GMT 2023
by
admin
on
Fri Dec 15 15:12:15 GMT 2023
|
Record UNII |
DC7N64C409
|
Record Status |
Validated (UNII)
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Record Version |
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-
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7490-98-4
Created by
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DC7N64C409
Created by
admin on Fri Dec 15 15:12:15 GMT 2023 , Edited by admin on Fri Dec 15 15:12:15 GMT 2023
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PRIMARY | |||
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21159608
Created by
admin on Fri Dec 15 15:12:15 GMT 2023 , Edited by admin on Fri Dec 15 15:12:15 GMT 2023
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PRIMARY |
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