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(Q104970617)
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English
(4aR)-7beta-(3-Methyl-2-butenoyloxy)-3,4abeta,5beta-trimethyl-4,4a,5,6,7,8abeta-hexahydronaphtho[2,3-b]furan-9(8H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-7-yl) 3-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C(OC1CC2C(=O)C=3OC=C(C3CC2(C)C(C)C1)C)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1
0 references
found in taxon
Petasites hybridus
1 reference
stated in
New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus
Identifiers
InChI
InChI=1S/C20H26O4/c1-11(2)6-17(21)24-14-7-13(4)20(5)9-15-12(3)10-23-19(15)18(22)16(20)8-14/h6,10,13-14,16H,7-9H2,1-5H3/t13-,14+,16+,20+/m0/s1
0 references
InChIKey
CVAKRAZZOFTNQL-XGNBGGDFSA-N
0 references
PubChem CID
102469301
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CVAKRAZZOFTNQL-XGNBGGDFSA-N
UniChem compound ID
100988836
1 reference
stated in
UniChem
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