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(Q104909887)
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English
(2S,3R)-4-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(1,3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
1 reference
based on heuristic
inferred from SMILES
mass
312.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₀O₄
0 references
canonical SMILES
O=C(C1=CC=C(O)C=C1)C(C)C(C)CC2=CC=C3OCOC3=C2
0 references
isomeric SMILES
C[C@H](C(=O)c1ccc(O)cc1)[C@H](C)Cc1ccc2c(c1)OCO2
0 references
found in taxon
Iryanthera lancifolia
1 reference
stated in
Structure and estrogenic activity of new lignans from Iryanthera lancifolia.
Identifiers
InChI
InChI=1S/C19H20O4/c1-12(9-14-3-8-17-18(10-14)23-11-22-17)13(2)19(21)15-4-6-16(20)7-5-15/h3-8,10,12-13,20H,9,11H2,1-2H3/t12-,13+/m1/s1
0 references
InChIKey
ADYNTRRRWKUCKH-OLZOCXBDSA-N
0 references
PubChem CID
44450606
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
211539
1 reference
stated in
UniChem
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