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(Q82948862)
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Isogalbulin
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Naphthalene, 1alpha-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2beta,3alpha-dimethyl-
1 reference
based on heuristic
inferred from SMILES
mass
356.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-tetralin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Galbulin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₄
0 references
canonical SMILES
O(C1=CC=C(C=C1OC)C2C3=CC(OC)=C(OC)C=C3CC(C)C2C)C
0 references
isomeric SMILES
C[C@H]1CC2=CC(=C(C=C2[C@@H]([C@@H]1C)C3=CC(=C(C=C3)OC)OC)OC)OC
0 references
found in taxon
Virola sebifera
1 reference
stated in
Further lignoids from Virola sebifera
Identifiers
InChI
InChI=1S/C22H28O4/c1-13-9-16-11-20(25-5)21(26-6)12-17(16)22(14(13)2)15-7-8-18(23-3)19(10-15)24-4/h7-8,10-14,22H,9H2,1-6H3/t13-,14+,22-/m0/s1
0 references
InChIKey
WYBOVISLCPAJFV-VVYDWRJNSA-N
0 references
CAS Registry Number
521-55-1
0 references
PubChem CID
193309
1 reference
matched by identifier from
InChIKey
InChIKey
WYBOVISLCPAJFV-VVYDWRJNSA-N
UniChem compound ID
3190766
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80966458
1 reference
matched by identifier from
InChIKey
InChIKey
WYBOVISLCPAJFV-VVYDWRJNSA-N
DSSTOX compound identifier
DTXCID501394093
0 references
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