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(Q82926694)
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English
9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
330.4619
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)CO)O
0 references
Identifiers
InChI
InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3
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InChIKey
LOUSQMWLMDHRIK-UHFFFAOYSA-N
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CAS Registry Number
25952-85-6
1 reference
InChIKey
LOUSQMWLMDHRIK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=25952-85-6
PubChem CID
33252
0 references
UniChem compound ID
32888566
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70948864
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DSSTOX compound identifier
DTXCID401377078
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Human Metabolome Database ID
HMDB0244358
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD076075
0 references
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