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(Q103813566)
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English
[(4R,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (2S)-2-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (2R)-2-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C1C=2OC=C(C2C(OC(=O)C(C)CC)C3(C1=CCCC3C)C)C
0 references
isomeric SMILES
CC[C@H](C)C(=O)O[C@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C
0 references
found in taxon
Packera bellidifolia
1 reference
stated in
Profiling of Alkaloids and Eremophilanes in Miracle Tea (Packera candidissima and P. bellidifolia) Products
Identifiers
InChI
InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3/t11-,13-,18-,20+/m0/s1
0 references
InChIKey
PUBUQGJOCRORHJ-TWSVYZDPSA-N
0 references
PubChem CID
162894485
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PUBUQGJOCRORHJ-TWSVYZDPSA-N
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