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(Q104915761)
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English
[(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4a,5-trimethyl-9-oxo-4H,5H,6H,7H-naphtho[2,3-b]furan-4-yl propanoate
1 reference
based on heuristic
inferred from SMILES
mass
302.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O₄
0 references
canonical SMILES
O=C1C=2OC=C(C2C(OC(=O)CC)C3(C1=CCCC3C)C)C
0 references
isomeric SMILES
CCC(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C
0 references
found in taxon
Cacalia adenostyloides
1 reference
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
Dendrophorbium dolichodoryium
1 reference
stated in
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
Parasenecio adenostyloides
1 reference
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
Identifiers
InChI
InChI=1S/C18H22O4/c1-5-13(19)22-17-14-10(2)9-21-16(14)15(20)12-8-6-7-11(3)18(12,17)4/h8-9,11,17H,5-7H2,1-4H3/t11-,17+,18+/m0/s1
0 references
InChIKey
AOLHAJUFFMMTNS-UZCIPKQKSA-N
0 references
PubChem CID
14431894
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AOLHAJUFFMMTNS-UZCIPKQKSA-N
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