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(Q105200787)
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English
Petasinol
group of stereoisomers with the chemical formula C₁₉H₂₈O₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
eremophilane sesquiterpenoid
1 reference
inferred from
eremophilane sesquiterpenoid
mass
352.17083037599997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₈O₄S
0 references
canonical SMILES
O=C(OC1CCC2=CC(O)C(C(=C)C)CC2(C)C1C)C=C[S+]([O-])C
0 references
isomeric SMILES
C=C(C)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@@H](OC(=O)/C=C/[S+](C)[O-])[C@@H]2C
0 references
found in taxon
Petasites formosanus
1 reference
stated in
Eremophilanes from Petasites formosanus KITAMURA.
Identifiers
InChI
InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15-,16+,17+,19+,24?/m0/s1
0 references
InChIKey
OVLGYAHWOSBKJJ-GIYVPBTGSA-N
0 references
PubChem CID
10831846
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OVLGYAHWOSBKJJ-GIYVPBTGSA-N
UniChem compound ID
32260466
1 reference
stated in
UniChem
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