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(Q104915235)
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English
(4R,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Petasalbin
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Ligularol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
OC1C=2C(=COC2CC3CCCC(C)C13C)C
0 references
isomeric SMILES
Cc1coc2c1[C@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2
0 references
found in taxon
Petasites japonicus
1 reference
stated in
Plant substances. XXIV. Constituents of rhizoms of Petasites japonicus (SIEB. et ZUCC.) MAXIM susp. giganteus KITAMURA
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3/t10-,11+,14-,15+/m0/s1
0 references
InChIKey
ANKFPIBCTISOBX-IDTSFGKNSA-N
0 references
PubChem CID
163088102
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANKFPIBCTISOBX-IDTSFGKNSA-N
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