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(Q105158287)
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English
(3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl) 3-methylsulfanylprop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₈O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
408.160659616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₆S
0 references
canonical SMILES
O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(OC(=O)C)C12)C=CSC
0 references
found in taxon
Petasites
1 reference
stated in
The Structural Elucidation of Sesquiterpene Lactones fromPetasites japonicusMaxim
Identifiers
InChI
InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3
0 references
InChIKey
LWHLMCCRIWZBQO-UHFFFAOYSA-N
0 references
PubChem CID
78384928
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LWHLMCCRIWZBQO-UHFFFAOYSA-N
UniChem compound ID
83541049
1 reference
stated in
UniChem
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