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(Q105224494)
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English
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3-Hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C(OC1CC(=CCC2(C)CCC(O)(C(C)C)C12)C)C(=CC)C
0 references
isomeric SMILES
C/C=C(/C)C(=O)O[C@H]1CC(C)=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
0 references
found in taxon
Ferula elaeochytris
3 references
stated in
Activity of elaeochytrin A from Ferula elaeochytris on leukemia cell lines
stated in
Activity of elaeochytrin A from Ferula elaeochytris on leukemia cell lines
stated in
Six sesquiterpene alcohol esters from ferula elaeochytris
Ferula communis
1 reference
stated in
Sesquiterpenoid esters from the fruits of Ferula communis
Identifiers
InChI
InChI=1S/C20H32O3/c1-7-15(5)18(21)23-16-12-14(4)8-9-19(6)10-11-20(22,13(2)3)17(16)19/h7-8,13,16-17,22H,9-12H2,1-6H3/b15-7-/t16-,17+,19-,20+/m0/s1
0 references
InChIKey
QNJGSTVOLOYKCR-SPMRQNITSA-N
0 references
PubChem CID
14138876
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QNJGSTVOLOYKCR-SPMRQNITSA-N
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