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(Q104909885)
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English
[9-(Chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
group of stereoisomers with the chemical formula C₁₉H₂₃ClO₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
398.113230756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₃ClO₇
0 references
canonical SMILES
O=C(OC1CC(=C)C2C(O)C(O)C(O)(CCl)C2C3OC(=O)C(=C)C13)C(=C)C
0 references
found in taxon
Centaurea
1 reference
stated in
Structure of Chlororepdiolide, a New Sesquiterpene Lactone from Centaurea repens
Rhaponticum repens
1 reference
stated in
Bisabolone derivatives and sesquiterpene lactones from centaurea species
Acroptilon repens
1 reference
stated in
Bisabolone derivatives and sesquiterpene lactones from centaurea species
Identifiers
InChI
InChI=1S/C19H23ClO7/c1-7(2)17(23)26-10-5-8(3)11-13(15-12(10)9(4)18(24)27-15)19(25,6-20)16(22)14(11)21/h10-16,21-22,25H,1,3-6H2,2H3
0 references
InChIKey
ADYLGDMJIHJMCB-UHFFFAOYSA-N
0 references
PubChem CID
71317595
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ADYLGDMJIHJMCB-UHFFFAOYSA-N
UniChem compound ID
66136653
1 reference
stated in
UniChem
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