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English
Cannabidiol-3-monomethyl ether
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
328.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₂
0 references
canonical SMILES
OC=1C=C(C=C(OC)C1C2C=C(C)CCC2C(=C)C)CCCCC
0 references
isomeric SMILES
CCCCCC1=CC(=C(C(=C1)OC)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
0 references
found in taxon
Cannabis sativa
1 reference
stated in
Constituents of Cannabis sativa L. XVII. A review of the natural constituents
Identifiers
InChI
InChI=1S/C22H32O2/c1-6-7-8-9-17-13-20(23)22(21(14-17)24-5)19-12-16(4)10-11-18(19)15(2)3/h12-14,18-19,23H,2,6-11H2,1,3-5H3/t18-,19+/m0/s1
0 references
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
0 references
CAS Registry Number
1972-05-0
1 reference
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1972-05-0
PubChem CID
164905
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
SureChEMBL ID
SCHEMBL13214117
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
UniChem compound ID
82184
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30941477
1 reference
matched by identifier from
InChIKey
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
DSSTOX compound identifier
DTXCID501369907
0 references
Cannabis Database ID
000012
1 reference
stated in
Cannabis Database
UNII
UDG7T94PXM
1 reference
matched by identifier from
InChIKey
InChIKey
IPGGELGANIXRSX-RBUKOAKNSA-N
Probes And Drugs ID
PD163935
0 references
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