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(Q105192261)
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Justin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(acetyloxy)-3-(2H-1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
444.178417856
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,3S)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)butyl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₈O₈
0 references
canonical SMILES
O=C(OCC(CC1=CC=C(O)C(OC)=C1)C(COC(=O)C)CC2=CC=C3OCOC3=C2)C
0 references
isomeric SMILES
COc1cc(C[C@@H](COC(C)=O)[C@H](COC(C)=O)Cc2ccc3c(c2)OCO3)ccc1O
0 references
found in taxon
Justicia procumbens
3 references
stated in
Six New Diarylbutane Lignans from Justicia procumbens
stated in
Six New Diarylbutane Lignans from Justicia procumbens
stated in
Six New Diarylbutane Lignans from Justicia procumbens
Identifiers
InChI
InChI=1S/C24H28O8/c1-15(25)29-12-19(8-17-4-6-21(27)23(10-17)28-3)20(13-30-16(2)26)9-18-5-7-22-24(11-18)32-14-31-22/h4-7,10-11,19-20,27H,8-9,12-14H2,1-3H3/t19-,20-/m0/s1
0 references
InChIKey
OHTVIXMKRHHBBH-PMACEKPBSA-N
0 references
PubChem CID
10551264
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHTVIXMKRHHBBH-PMACEKPBSA-N
UniChem compound ID
32958041
1 reference
stated in
UniChem
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