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(Q105312602)
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English
methyl (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
346.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
pinusolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₄
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C(=O)OC)(C)CCCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCC1=CCOC1=O
0 references
found in taxon
Platycladus orientalis
1 reference
stated in
Isolation and characterization of platelet-activating factor receptor binding antagonists from Biota orientalis
Identifiers
InChI
InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17-,20-,21+/m1/s1
0 references
InChIKey
WTKBZJAWPZXKJU-DGQTTZFYSA-N
0 references
PubChem CID
162949318
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTKBZJAWPZXKJU-DGQTTZFYSA-N
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