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(Q105381926)
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English
3beta-Acetoxycacalohastin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(9-Methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran-6-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
300.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(5R,6R)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran-6-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₀O₄
0 references
canonical SMILES
O=C(OC1C=CC=2C(OC)=C3OC=C(C3=C(C2C1C)C)C)C
0 references
isomeric SMILES
COc1c2c(c(C)c3c(C)coc13)[C@@H](C)[C@@H](OC(C)=O)C=C2
0 references
found in taxon
Senecio crispus
1 reference
stated in
Natürlich vorkommende Terpen-Derivate, 144: Über ein dimeres Furanoeremophilan und neue Cacalohastin-Derivate aus Senecio crispus Thumb. und Senecio macrospermus DC
Identifiers
InChI
InChI=1S/C18H20O4/c1-9-8-21-18-15(9)11(3)16-10(2)14(22-12(4)19)7-6-13(16)17(18)20-5/h6-8,10,14H,1-5H3/t10-,14-/m0/s1
0 references
InChIKey
ZRFLKTSHIISUTA-HZMBPMFUSA-N
0 references
PubChem CID
101596712
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97144036
1 reference
stated in
UniChem
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