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(Q110187909)
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English
Denudadione C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
1 reference
based on heuristic
inferred from SMILES
(1S,5R)-7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
1 reference
based on heuristic
inferred from SMILES
mass
340.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,5R,6S,7S)-3-Methoxy-5-allyl-6-methyl-7-(1,3-benzodioxol-5-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,5R,6S,7R)-7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₀O₅
0 references
canonical SMILES
O=C1C(OC)=CC2(C(=O)C1C(C3=CC=C4OCOC4=C3)C2C)CC=C
0 references
isomeric SMILES
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C
0 references
found in taxon
Magnolia denudata
1 reference
stated in
Bicyclo[3.2.1]octane and 6-oxabicyclo[3.2.2]nonane type neolignans from Magnolia denudata
Identifiers
InChI
InChI=1S/C20H20O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-17H,1,7,10H2,2-3H3/t11-,16+,17+,20+/m1/s1
0 references
InChIKey
YCTWRMSXONXESR-NBSNSOTFSA-N
0 references
PubChem CID
11110577
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YCTWRMSXONXESR-NBSNSOTFSA-N
UniChem compound ID
33469188
1 reference
stated in
UniChem
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