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(Q105322512)
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English
(4aR,5R,6R,8aS,9S)-9-hydroxy-3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-6-yl (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl) 5-methyldodeca-2,4,6-trienoate
1 reference
based on heuristic
inferred from SMILES
mass
440.29265976
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₀O₄
0 references
canonical SMILES
O=C(OC1CCC2C(O)C=3OC=C(C3CC2(C)C1C)C)C=CC=C(C=CCCCCC)C
0 references
isomeric SMILES
CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@H]1C
0 references
found in taxon
Senecio glanduloso-pilosus
1 reference
stated in
Eremophilene and germacrene derivatives from Senecio glanduloso-pilosus
Identifiers
InChI
InChI=1S/C28H40O4/c1-6-7-8-9-10-12-19(2)13-11-14-25(29)32-24-16-15-23-26(30)27-22(20(3)18-31-27)17-28(23,5)21(24)4/h10-14,18,21,23-24,26,30H,6-9,15-17H2,1-5H3/b12-10+,14-11+,19-13+/t21-,23+,24+,26-,28+/m0/s1
0 references
InChIKey
WYSKPOLWBMLNOI-LYBZIJEESA-N
0 references
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