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(Q105142722)
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English
(5aR,9aR)-4,5a-dihydroxy-6,6,9a-trimethyl-3-propan-2-yl-8,9-dihydro-7H-dibenzofuran-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,5a-dihydroxy-6,6,9a-trimethyl-3-propan-2-yl-8,9-dihydro-7H-dibenzofuran-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
334.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆O₅
0 references
canonical SMILES
O=C(O)C=1C=C(C(O)=C2OC3(O)C(C21)(C)CCCC3(C)C)C(C)C
0 references
isomeric SMILES
CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)CCC[C@]21C
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found in taxon
Salvia montbretii
1 reference
stated in
Abietane and Rearranged Abietane Diterpenes fromSalvia montbretii
Salvia munzii
1 reference
stated in
New diterpenes from Salvia munzii: chemical and biogenetic aspects
Identifiers
InChI
InChI=1S/C19H26O5/c1-10(2)11-9-12(16(21)22)13-15(14(11)20)24-19(23)17(3,4)7-6-8-18(13,19)5/h9-10,20,23H,6-8H2,1-5H3,(H,21,22)/t18-,19-/m1/s1
0 references
InChIKey
KLOJCXCHQBUABA-RTBURBONSA-N
0 references
PubChem CID
163093049
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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