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(Q105005433)
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English
3'-Methoxyburchellin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
1 reference
based on heuristic
inferred from SMILES
mass
370.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-2-(1,3-Benzodioxole-5-yl)-3beta-methyl-3aalpha-allyl-5,7-dimethoxy-3,3a-dihydrobenzofuran-6(2H)-one
1 reference
based on heuristic
inferred from InChIKey
(2R,3R,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₆
0 references
canonical SMILES
O=C1C(OC)=CC2(C(OC(C3=CC=C4OCOC4=C3)C2C)=C1OC)CC=C
0 references
isomeric SMILES
C=CC[C@@]12C=C(OC)C(=O)C(OC)=C1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C
0 references
found in taxon
Ocotea aciphylla
1 reference
stated in
Further neolignans from Ocotea aciphylla
Ocotea veraguensis
1 reference
stated in
Neolignans from stem bark of ocotea veraguensis
Mespilodaphne veraguensis
1 reference
stated in
Neolignans from stem bark of ocotea veraguensis
Identifiers
InChI
InChI=1S/C21H22O6/c1-5-8-21-10-16(23-3)17(22)19(24-4)20(21)27-18(12(21)2)13-6-7-14-15(9-13)26-11-25-14/h5-7,9-10,12,18H,1,8,11H2,2-4H3/t12-,18+,21+/m1/s1
0 references
InChIKey
GAIYJSQKRRARSH-NWXLUKJOSA-N
0 references
PubChem CID
23641075
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34756002
1 reference
stated in
UniChem
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