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(Q105171483)
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English
(1S,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,4a-Dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
314.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
7-oxodehydroabietic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(=O)CC12)C(C)C)C
0 references
isomeric SMILES
CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C
0 references
found in taxon
Ferula assa-foetida
1 reference
stated in
Influenza A (H(1)N(1)) Antiviral and Cytotoxic Agents from Ferula assa-foetida.
Juniperus chinensis
1 reference
stated in
Abietanes from leaves of Juniperus chinensis
Juniperus sabina
1 reference
stated in
Terpenoids from Juniperus sabina
Identifiers
InChI
InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20+/m1/s1
0 references
InChIKey
MSWJSDLNPCSSNW-RLLQIKCJSA-N
0 references
PubChem CID
24899843
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MSWJSDLNPCSSNW-RLLQIKCJSA-N
UniChem compound ID
33469809
1 reference
stated in
UniChem
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