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(Q105210982)
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English
(1R,4aS,4bS,7R,9R,10aS)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4aR,4bR,7R,9R,10aR)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C3C(=CC(C=C)(C)CC3)C(O)CC12
0 references
isomeric SMILES
C=C[C@]1(C)C=C2[C@@H](CC1)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@H]2O
0 references
found in taxon
Aldama arenaria
2 references
stated in
Antimicrobial ent-pimarane diterpenes from Viguiera arenaria against Gram-positive bacteria.
stated in
Antimicrobial activity of diterpenes from Viguiera arenaria against endodontic bacteria.
Identifiers
InChI
InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14-,15-,16+,18+,19+,20-/m1/s1
0 references
InChIKey
PLKOJNUQWAKPNC-CWQWKTJFSA-N
0 references
PubChem CID
73350767
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
69481414
1 reference
stated in
UniChem
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