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(Q105371140)
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English
[(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] 3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8a-Hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl) 3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C(OC1C2=C(OC=C2C)CC3(O)CCCC(C)C13C)CC(C)C
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isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2
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found in taxon
Ligularia kanaitzensis
1 reference
stated in
Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences
Othonna filicaulis
1 reference
stated in
Natürlich vorkommende Terpen-Derivate, XLII. Neue Sesquiterpene der GattungOthonna
Othonna obtusiloba
1 reference
stated in
Sesquiterpene derivatives from othonna and related species
Identifiers
InChI
InChI=1S/C20H30O4/c1-12(2)9-16(21)24-18-17-13(3)11-23-15(17)10-20(22)8-6-7-14(4)19(18,20)5/h11-12,14,18,22H,6-10H2,1-5H3/t14-,18+,19-,20-/m0/s1
0 references
InChIKey
ZCINKZJXUAGQKT-WBCYEJBOSA-N
0 references
PubChem CID
162957957
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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