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(Q104907820)
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English
(3S,3aR,4R,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2C=C(C)CCC=C(CO)CC(O)C2C1C
0 references
isomeric SMILES
C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](O)C/C(CO)=C/CC1
0 references
found in taxon
Blainvillea acmella
2 references
stated in
Acanthospermolides and other constituents from Blainvillea acmella
stated in
A further steiractinolide derivative from Spilanthes leiocarpa
Spilanthes acmella
2 references
stated in
Acanthospermolides and other constituents from Blainvillea acmella
stated in
A further steiractinolide derivative from Spilanthes leiocarpa
Identifiers
InChI
InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,10,12-14,16-17H,3-4,7-8H2,1-2H3/b9-6+,11-5-/t10-,12+,13+,14+/m0/s1
0 references
InChIKey
AACJDWCUEJRPLO-UFRLAGGVSA-N
0 references
PubChem CID
23786371
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AACJDWCUEJRPLO-UFRLAGGVSA-N
UniChem compound ID
53754887
1 reference
stated in
UniChem
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