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(Q104920767)
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English
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
334.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4S,4aR,5S,8S,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[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)C3C(O)CCC(C)C13C)C(C)C
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isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@H]1C2=O
0 references
found in taxon
Senecio umbellatus
1 reference
stated in
Natürlich vorkommende Terpen-Derivate, 78. Weitere Inhaltsstoffe aus südafrikanischenSenecio-Arten
Senecio chionophilus
1 reference
stated in
Constituents of Senecio chionophilus with potential antitubercular activity
Identifiers
InChI
InChI=1S/C19H26O5/c1-9(2)18(22)24-17-13-10(3)8-23-16(13)15(21)14-12(20)7-6-11(4)19(14,17)5/h8-9,11-12,14,17,20H,6-7H2,1-5H3/t11-,12-,14-,17+,19+/m0/s1
0 references
InChIKey
AXTBBOHGQOEWMH-ZXRHMVHLSA-N
0 references
PubChem CID
21585574
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
48796978
1 reference
stated in
UniChem
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