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(Q105351379)
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English
(3-Hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl) benzoate
group of stereoisomers with the chemical formula C₂₂H₃₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
daucane sesquiterpenoid
1 reference
inferred from
daucane sesquiterpenoid
mass
342.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₃
0 references
canonical SMILES
O=C(OC1CC(=CCC2(C)CCC(O)(C(C)C)C12)C)C=3C=CC=CC3
0 references
found in taxon
Ferula hermonis
1 reference
stated in
Activity of elaeochytrin A from Ferula elaeochytris on leukemia cell lines
Ferula elaeochytris
1 reference
stated in
Daucane sesquiterpenes from Ferula hermonis
Identifiers
InChI
InChI=1S/C22H30O3/c1-15(2)22(24)13-12-21(4)11-10-16(3)14-18(19(21)22)25-20(23)17-8-6-5-7-9-17/h5-10,15,18-19,24H,11-14H2,1-4H3
0 references
InChIKey
YOLDXKHOBUWSGX-UHFFFAOYSA-N
0 references
PubChem CID
496287
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YOLDXKHOBUWSGX-UHFFFAOYSA-N
UniChem compound ID
66465441
1 reference
stated in
UniChem
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