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(Q105018408)
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English
[(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-4-hydroxypent-3-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 4-hydroxypent-3-enoate
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C(OC1C2=C(OC=C2C)C(=O)C3CCCC(C)C13C)CC=C(O)C
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isomeric SMILES
C/C(O)=C/CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C
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found in taxon
Senecio rosmarinifolius
1 reference
stated in
Seco-eremophilanes and other constituents from South African Senecio species
Senecio asperulus
1 reference
stated in
Seco-eremophilanes and other constituents from South African Senecio species
Identifiers
InChI
InChI=1S/C20H26O5/c1-11-10-24-18-16(11)19(25-15(22)9-8-13(3)21)20(4)12(2)6-5-7-14(20)17(18)23/h8,10,12,14,19,21H,5-7,9H2,1-4H3/b13-8-/t12-,14-,19+,20+/m0/s1
0 references
InChIKey
GTBPCZMOJPRRIW-HBYOXYBFSA-N
0 references
PubChem CID
163188850
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GTBPCZMOJPRRIW-HBYOXYBFSA-N
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