Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H34O2.C17H19NO3 |
Molecular Weight | 567.799 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCCC\C=C/CCCCCCCC(O)=O.[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@]1([H])[C@@]45CCN2C)=C(O)C=C3
InChI
InChIKey=KPSMEDRDTQAZOY-QWJUXTQJSA-N
InChI=1S/C18H34O2.C17H19NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5,10-11,13,16,19-20H,6-8H2,1H3/b10-9-;/t;10-,11+,13-,16-,17-/m.0/s1
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 |
Molecular Formula | C18H34O2 |
Molecular Weight | 282.4614 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:29:49 UTC 2023
by
admin
on
Sat Dec 16 08:29:49 UTC 2023
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Record UNII |
3GZ4H1UV4X
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Record Status |
Validated (UNII)
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Record Version |
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3GZ4H1UV4X
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DTXSID201340447
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6033-05-2
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227-908-1
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6433458
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6108
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ACTIVE MOIETY |