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English
(9S)-10-(1,3-benzodioxol-5-yl)-9-methoxy-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10-(1,3-benzodioxol-5-yl)-9-methoxy-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one
1 reference
based on heuristic
inferred from SMILES
mass
378.073952788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₄O₇
0 references
canonical SMILES
O=C1OC(OC)C2=C1C=C3C=CC=4OCOC4C3=C2C=5C=CC=6OCOC6C5
0 references
isomeric SMILES
CO[C@H]1OC(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4
0 references
found in taxon
Justicia nemorosa
1 reference
stated in
Juspurpurin, an unusual secolignan glycoside from Justicia purpurea.
Hypoestes purpurea
1 reference
stated in
Juspurpurin, an unusual secolignan glycoside from Justicia purpurea.
Identifiers
InChI
InChI=1S/C21H14O7/c1-23-21-18-12(20(22)28-21)6-10-3-5-14-19(27-9-25-14)17(10)16(18)11-2-4-13-15(7-11)26-8-24-13/h2-7,21H,8-9H2,1H3/t21-/m0/s1
0 references
InChIKey
XCQUEZWAPHJFSR-NRFANRHFSA-N
0 references
PubChem CID
163057004
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCQUEZWAPHJFSR-NRFANRHFSA-N
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