Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H23NO6 |
Molecular Weight | 385.4104 |
Optical Activity | UNSPECIFIED |
Additional Stereochemistry | Yes |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | M-helix |
SHOW SMILES / InChI
SMILES
COC1=C(OC)C2=C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)C=C1O
InChI
InChIKey=JRRUSQGIRBEMRN-HNNXBMFYSA-N
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
Molecular Formula | C21H23NO6 |
Molecular Weight | 385.4104 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:34:56 GMT 2023
by
admin
on
Fri Dec 15 15:34:56 GMT 2023
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Record UNII |
C939KS8QEL
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Record Status |
Validated (UNII)
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Record Version |
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-
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160338-75-0
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NO STRUCTURE GIVEN | |||
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7336-33-6
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admin on Fri Dec 15 15:34:56 GMT 2023 , Edited by admin on Fri Dec 15 15:34:56 GMT 2023
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DTXSID30223604
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admin on Fri Dec 15 15:34:56 GMT 2023 , Edited by admin on Fri Dec 15 15:34:56 GMT 2023
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299664
Created by
admin on Fri Dec 15 15:34:56 GMT 2023 , Edited by admin on Fri Dec 15 15:34:56 GMT 2023
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C939KS8QEL
Created by
admin on Fri Dec 15 15:34:56 GMT 2023 , Edited by admin on Fri Dec 15 15:34:56 GMT 2023
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172946
Created by
admin on Fri Dec 15 15:34:56 GMT 2023 , Edited by admin on Fri Dec 15 15:34:56 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE LESS ACTIVE |
URINE
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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