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(Q82006107)
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English
Abieta-7,13-dien-18-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1S,4aR,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
Abietinic acid
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C3C(C=C(CC3)C(C)C)=CCC12
0 references
found in taxon
Abies chensiensis
1 reference
stated in
Terpenoid Constituents ofAbies chensiensiswith Potential Anti-inflammatory Activity
Identifiers
InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)
0 references
InChIKey
RSWGJHLUYNHPMX-UHFFFAOYSA-N
0 references
CAS Registry Number
17817-95-7
0 references
PubChem CID
90895
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
SureChEMBL ID
SCHEMBL2754762
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSWGJHLUYNHPMX-UHFFFAOYSA-N
UniChem compound ID
24355562
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20275874
0 references
DSSTOX compound identifier
DTXCID70227242
0 references
NSC number
226139
0 references
Human Metabolome Database ID
HMDB0247751
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSWGJHLUYNHPMX-UHFFFAOYSA-N
Probes And Drugs ID
PD056414
0 references
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