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Paniculadiol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
4-{2-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-5H-furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Amphiacrolide H
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OCC(=C1)CCC2(C)C(C)CCC3(C(=CCCC32)CO)CO
0 references
isomeric SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC=C2CO)CO
0 references
found in taxon
Baccharis paniculata
1 reference
stated in
Clerodane Diterpenoids and Acetylenic Lactones from Baccharris Paniculata
Identifiers
InChI
InChI=1S/C20H30O4/c1-14-6-9-20(13-22)16(11-21)4-3-5-17(20)19(14,2)8-7-15-10-18(23)24-12-15/h4,10,14,17,21-22H,3,5-9,11-13H2,1-2H3/t14-,17-,19+,20-/m1/s1
0 references
InChIKey
LOQIVSNSTMYXOS-SIKIZQCASA-N
0 references
CAS Registry Number
122279-89-4
0 references
PubChem CID
183549
1 reference
matched by identifier from
InChIKey
InChIKey
LOQIVSNSTMYXOS-SIKIZQCASA-N
UniChem compound ID
60857040
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90924125
1 reference
matched by identifier from
InChIKey
InChIKey
LOQIVSNSTMYXOS-SIKIZQCASA-N
DSSTOX compound identifier
DTXCID401352969
0 references
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