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(Q104970525)
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English
[(4S,4aR,5R,8aS)-5-hydroxy-3,4a,5-trimethyl-9-oxo-6,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Methylpropanoic acid (4S)-4,4a,5,6,7,8,8abeta,9-octahydro-5alpha-hydroxy-3,4abeta,5-trimethyl-9-oxonaphtho[2,3-b]furan-4beta-yl ester
1 reference
based on heuristic
inferred from SMILES
mass
334.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4S,4aR,5R,8aR)-5-hydroxy-3,4a,5-trimethyl-9-oxo-6,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylpropanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₆O₅
0 references
canonical SMILES
O=C(OC1C2=C(OC=C2C)C(=O)C3CCCC(O)(C)C13C)C(C)C
0 references
isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@H](CCC[C@@]1(C)O)C2=O
0 references
found in taxon
Euryops hebecarpus
1 reference
stated in
Natürlich vorkommende Terpen-Derivate, XXXIX. Über die Inhaltsstoffe der GattungEuryops
Identifiers
InChI
InChI=1S/C19H26O5/c1-10(2)17(21)24-16-13-11(3)9-23-15(13)14(20)12-7-6-8-18(4,22)19(12,16)5/h9-10,12,16,22H,6-8H2,1-5H3/t12-,16-,18-,19-/m1/s1
0 references
InChIKey
CUWBJCBYZZKRQZ-BYIJLXJXSA-N
0 references
PubChem CID
162921093
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CUWBJCBYZZKRQZ-BYIJLXJXSA-N
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