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(Q105135602)
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English
(12R)-15,16-Epoxy-12-hydroxy-2-oxo-9,10-secolabda-1(10),8,13(16),14-tetraen-20-oic acid lactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(furan-3-yl)-3-[2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-5,6-dihydropyran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
328.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₄
0 references
canonical SMILES
O=C1OC(C2=COC=C2)CC=C1CCC3C(=CC(=O)CC3(C)C)C
0 references
isomeric SMILES
CC1=CC(=O)CC(C)(C)[C@@H]1CCC1=CC[C@H](c2ccoc2)OC1=O
0 references
found in taxon
Hebeclinium macrophyllum
1 reference
stated in
Further seco-labdanes from Hebeclinium macrophyllum
Tamaulipa azurea
1 reference
stated in
Seco-labdanes fromTamaulipa azurea and constituents from other eupatorieae
Identifiers
InChI
InChI=1S/C20H24O4/c1-13-10-16(21)11-20(2,3)17(13)6-4-14-5-7-18(24-19(14)22)15-8-9-23-12-15/h5,8-10,12,17-18H,4,6-7,11H2,1-3H3/t17-,18-/m1/s1
0 references
InChIKey
JVCOVRPXVQTCSZ-QZTJIDSGSA-N
0 references
PubChem CID
13858019
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JVCOVRPXVQTCSZ-QZTJIDSGSA-N
UniChem compound ID
81135223
1 reference
stated in
UniChem
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