Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H28O3 |
Molecular Weight | 328.4452 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC(=O)C3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C(=O)OC
InChI
InChIKey=URPBIQPJABGDJD-HMXCVIKNSA-N
InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21-/m1/s1
Molecular Formula | C21H28O3 |
Molecular Weight | 328.4452 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/12444672
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12444672
Methyl 7-Oxohydroabietate is an oxidation product of abietic acid and a known allergen. It has been shown to be cytotoxic against keratin forming tumor cells (KB cells).
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:59:41 GMT 2023
by
admin
on
Fri Dec 15 17:59:41 GMT 2023
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Record UNII |
U6MXZ2H3UY
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Record Status |
Validated (UNII)
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Record Version |
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