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Austrobailignan 3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(7-Methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
1 reference
based on heuristic
inferred from SMILES
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
0 references
canonical SMILES
O(C=1C=C(C=C2OCOC12)C3C4=CC=5OCOC5C=C4CC(C)C3C)C
0 references
isomeric SMILES
COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc2c1OCO2
0 references
found in taxon
Austrobaileya scandens
1 reference
stated in
Some constituents of Austrobaileya scandens (Austrobaileyaceae) : structures of seven new lignans
Identifiers
InChI
InChI=1S/C21H22O5/c1-11-4-13-5-16-17(24-9-23-16)8-15(13)20(12(11)2)14-6-18(22-3)21-19(7-14)25-10-26-21/h5-8,11-12,20H,4,9-10H2,1-3H3/t11-,12+,20-/m1/s1
0 references
InChIKey
WMPUHRROBOWDAU-XAAFQQQXSA-N
0 references
PubChem CID
102117084
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97691591
1 reference
stated in
UniChem
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