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(Q105236355)
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Eupatoralbin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,10-Dihydroxy-2,6,12-trimethyl-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OC23CCCC1(C)C3C(O)CC45CC(CCC24C)C(O)(C)C5
0 references
isomeric SMILES
C[C@]12CC[C@@H]3C[C@@]1(C[C@H](O)[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C[C@@]3(C)O
0 references
found in taxon
Eupatorium album
1 reference
stated in
Tetracyclic analogs of the rosane lactones from Eupatorium album
Identifiers
InChI
InChI=1S/C20H30O4/c1-16-6-4-7-20(24-15(16)22)14(16)13(21)10-19-9-12(17(2,23)11-19)5-8-18(19,20)3/h12-14,21,23H,4-11H2,1-3H3/t12-,13+,14-,16-,17-,18+,19-,20+/m1/s1
0 references
InChIKey
RHHASGAARYKZGN-QXZRNTICSA-N
0 references
PubChem CID
101324895
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96658771
1 reference
stated in
UniChem
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