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(Q104970800)
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English
(4aR)-7beta-(Isobutyryloxy)-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9aalpha-octahydronaphtho[2,3-b]furan-2(4H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-7-yl) 2-methylpropanoate
1 reference
based on heuristic
inferred from SMILES
mass
320.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₈O₄
0 references
canonical SMILES
O=C1OC2C(=C1C)CC3(C)C(C)CC(OC(=O)C(C)C)CC3C2
0 references
isomeric SMILES
CC1=C2C[C@]3(C)[C@@H](C)C[C@@H](OC(=O)C(C)C)C[C@@H]3C[C@H]2OC1=O
0 references
found in taxon
Petasites hybridus
1 reference
stated in
New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus
Identifiers
InChI
InChI=1S/C19H28O4/c1-10(2)17(20)22-14-6-11(3)19(5)9-15-12(4)18(21)23-16(15)8-13(19)7-14/h10-11,13-14,16H,6-9H2,1-5H3/t11-,13+,14+,16+,19+/m0/s1
0 references
InChIKey
CVJZFMGSVLJCNS-UQEONHLJSA-N
0 references
PubChem CID
102469296
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CVJZFMGSVLJCNS-UQEONHLJSA-N
UniChem compound ID
100988831
1 reference
stated in
UniChem
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