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Asperilin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Sesquiterpene lactone TS-7
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,4aR,8S,8aS,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2CC3(C)C(O)CCC(=C)C3CC2C1=C
0 references
isomeric SMILES
C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)C(=O)O3
0 references
found in taxon
Inula helenium
1 reference
stated in
New sesquiterpene lactones from Inula species
Iva asperifolia
1 reference
stated in
Constituents of Iva Species. II. The Structures of Asperilin and Ivasperin, Two New Sesquiterpene Lactones1
Inula japonica
2 references
stated in
Sesquiterpenes and other constituents from the aerial parts of Inula japonica
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
Telekia speciosa
2 references
stated in
Further eudesmanolides and xanthanolides from Telekia speciosa
stated in
Acylated hydroxycinnamic acid glucosides from flowers of Telekia Speciosa
Iva asperifolia var. angustifolia
1 reference
stated in
Constituents of Iva Species. III. Structure of Microcephalin, A New Sesquiterpene Lactone1,2
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15-/m1/s1
0 references
InChIKey
GAUPAOVCTWBVKC-WPLOAARJSA-N
0 references
CAS Registry Number
7044-35-1
0 references
PubChem CID
257274
1 reference
matched by identifier from
InChIKey
InChIKey
GAUPAOVCTWBVKC-WPLOAARJSA-N
UniChem compound ID
508625
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80292744
1 reference
matched by identifier from
InChIKey
InChIKey
GAUPAOVCTWBVKC-WPLOAARJSA-N
DSSTOX compound identifier
DTXCID10243885
0 references
NSC number
85238
0 references
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