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(Q83003820)
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English
Encecanescin
group of stereoisomers with the chemical formula C₂₈H₃₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
3-chromene
1 reference
inferred from
3-chromene
mass
450.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₄O₅
0 references
canonical SMILES
O(C1=CC=2OC(C=CC2C=C1C(OC(C3=CC=4C=CC(OC4C=C3OC)(C)C)C)C)(C)C)C
0 references
isomeric SMILES
COc1cc2c(cc1C(C)O[C@H](C)c1cc3c(cc1OC)OC(C)(C)C=C3)C=CC(C)(C)O2
0 references
found in taxon
Ageratina arsenei
1 reference
stated in
Chromenes from Ageratina arsenii and revised structures of two epimeric chromene dimers
Ageratina glechonophylla
1 reference
stated in
Chromenes and benzofurans from Ageratina glechonophylla
Encelia canescens
1 reference
stated in
Dimeric chromenes and mixed dimers of a chromene with euparin from Encelia canescens
Identifiers
InChI
InChI=1S/C28H34O5/c1-17(21-13-19-9-11-27(3,4)32-23(19)15-25(21)29-7)31-18(2)22-14-20-10-12-28(5,6)33-24(20)16-26(22)30-8/h9-18H,1-8H3/t17-,18?/m1/s1
0 references
InChIKey
YVOFPTMROPMBQF-QNSVNVJESA-N
0 references
CAS Registry Number
87592-85-6
0 references
PubChem CID
5487790
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YVOFPTMROPMBQF-QNSVNVJESA-N
UniChem compound ID
52024418
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901007674
1 reference
matched by identifier from
InChIKey
InChIKey
YVOFPTMROPMBQF-QNSVNVJESA-N
DSSTOX compound identifier
DTXCID201434523
0 references
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