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(Q81981271)
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(+)-Centrolobol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
300.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Centrolobol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₃
0 references
canonical SMILES
OC1=CC=C(C=C1)CCCCC(O)CCC2=CC=C(O)C=C2
0 references
isomeric SMILES
C1=CC(=CC=C1CCCC[C@@H](CCC2=CC=C(C=C2)O)O)O
0 references
found in taxon
Centrolobium
1 reference
stated in
Diarylheptanoid and other phenolic constituents of Centrolobium species
Centrolobium robustum
1 reference
stated in
Diarylheptanoids and isoflavonoids from Centrolobium species
Centrolobium tomentosum
1 reference
stated in
Diarylheptanoids of Centrolobium species
Identifiers
InChI
InChI=1S/C19H24O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,17,20-22H,1-4,7,10H2/t17-/m0/s1
0 references
InChIKey
UYJAYWZGEZOHRU-KRWDZBQOSA-N
0 references
CAS Registry Number
30359-04-7
0 references
PubChem CID
14427393
0 references
UniChem compound ID
4060414
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60873813
0 references
DSSTOX compound identifier
DTXCID301012041
0 references
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