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English
(3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
1 reference
based on heuristic
inferred from SMILES
mass
406.1991533
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₇
0 references
canonical SMILES
OC1=CC=C(C=C1OC)CCC(O)CC(O)CCC2=CC(OC)=C(O)C(OC)=C2
0 references
isomeric SMILES
COC1=CC(=CC(=C1O)OC)CC[C@@H](C[C@H](CCC2=CC(=C(C=C2)O)OC)O)O
0 references
found in taxon
Zingiber ottensii
1 reference
stated in
Terpenoids and a diarylheptanoid from Zingiber ottensii
Zingiber officinale
1 reference
stated in
Metabolic Profiles of Ginger, A Functional Food, and Its Representative Pungent Compounds in Rats by Ultraperformance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Tandem Mass Spectrometry.
Identifiers
InChI
InChI=1S/C22H30O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h6,9-12,16-17,23-26H,4-5,7-8,13H2,1-3H3/t16-,17-/m0/s1
0 references
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
0 references
CAS Registry Number
145888-84-2
1 reference
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=145888-84-2
PubChem CID
126887
1 reference
matched by identifier from
InChIKey
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
UniChem compound ID
333475
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60932712
1 reference
matched by identifier from
InChIKey
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
DSSTOX compound identifier
DTXCID301361395
0 references
KNApSAcK ID
C00059981
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
UNII
K9C656D9DL
1 reference
matched by identifier from
InChIKey
InChIKey
UEKHBUNMFZUBFK-IRXDYDNUSA-N
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