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(Q82883597)
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English
(5S,5aS,8aR)-5-(1,3-benzodioxol-4-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
arylnaphthalene-type lignan
0 references
mass
352.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₆O₆
0 references
canonical SMILES
O=C1OCC2CC3=CC=4OCOC4C=C3C(C=5C=CC=C6OCOC65)C12
0 references
isomeric SMILES
C1[C@H]2COC(=O)[C@H]2[C@@H](C3=CC4=C(C=C31)OCO4)C5=C6C(=CC=C5)OCO6
0 references
found in taxon
Bursera graveolens
2 references
stated in
A new and known cytotoxic aryltetralin-type lignans from stems of Bursera graveolens
stated in
A New and Known Cytotoxic Aryltetralin-Type Lignans from Stems of Bursera graveolens.
Bursera simaruba
1 reference
stated in
Isolation of Picropolygamain from the Resin of Bursera simaruba
Commiphora kua
1 reference
stated in
Picropolygamain: a New Lignan fromCommiphora incisaResin1,2
Identifiers
InChI
InChI=1S/C20H16O6/c21-20-17-11(7-22-20)4-10-5-15-16(25-8-24-15)6-13(10)18(17)12-2-1-3-14-19(12)26-9-23-14/h1-3,5-6,11,17-18H,4,7-9H2/t11-,17+,18+/m0/s1
0 references
InChIKey
XRRZUOAMRCUMAH-UZCIPKQKSA-N
0 references
CAS Registry Number
98819-09-1
0 references
PubChem CID
127160
1 reference
matched by identifier from
InChIKey
InChIKey
XRRZUOAMRCUMAH-UZCIPKQKSA-N
UniChem compound ID
53396466
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90913074
1 reference
matched by identifier from
InChIKey
InChIKey
XRRZUOAMRCUMAH-UZCIPKQKSA-N
DSSTOX compound identifier
DTXCID401342087
0 references
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