Details
Stereochemistry | EPIMERIC |
Molecular Formula | C13H18O2.C7H17NO5 |
Molecular Weight | 401.4944 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
InChI
InChIKey=VXVMMZWKWPUJIT-WZTVWXICSA-N
InChI=1S/C13H18O2.C7H17NO5/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-8-2-4(10)6(12)7(13)5(11)3-9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Molecular Formula | C13H18O2 |
Molecular Weight | 206.2808 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C7H17NO5 |
Molecular Weight | 195.2136 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:01:29 UTC 2023
by
admin
on
Sat Dec 16 10:01:29 UTC 2023
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Record UNII |
56SFW97YYQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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9930909
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SUB02627MIG
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56SFW97YYQ
Created by
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100000086960
Created by
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135861-34-6
Created by
admin on Sat Dec 16 10:01:29 UTC 2023 , Edited by admin on Sat Dec 16 10:01:29 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |