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(Q105267711)
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English
(Z)-6,8'7,3'-Diligustilide;3-Butylidene-3,4,5,5a,6,6',7',7a-octahydro-6-propylspiro[cyclobut[e]isobenzofuran-7(1H),1'(3'H)-isobenzofuran]-1,3'-dione
group of stereoisomers with the chemical formula C₂₄H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
380.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈O₄
0 references
canonical SMILES
O=C1OC(=CCCC)C2=C1C3C(CC2)C(CCC)C43OC(=O)C=5C=CCCC54
0 references
found in taxon
Conioselinum smithii
1 reference
stated in
Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong)
Conioselinum tenuissimum
1 reference
stated in
Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong)
Identifiers
InChI
InChI=1S/C24H28O4/c1-3-5-11-19-16-13-12-14-17(8-4-2)24(21(14)20(16)23(26)27-19)18-10-7-6-9-15(18)22(25)28-24/h6,9,11,14,17,21H,3-5,7-8,10,12-13H2,1-2H3
0 references
InChIKey
TYSOMZQRYGBSKN-UHFFFAOYSA-N
0 references
PubChem CID
73409814
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TYSOMZQRYGBSKN-UHFFFAOYSA-N
UniChem compound ID
76420168
1 reference
stated in
UniChem
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