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(Q110184615)
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English
(3aS,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(Hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3aS,6E,10E,11aS)-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
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canonical SMILES
O=C1OC2C=C(C)CCC=C(CO)CCC2C1=C
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isomeric SMILES
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/CO)CC[C@@H]12
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Identifiers
InChI
InChI=1S/C15H20O3/c1-10-4-3-5-12(9-16)6-7-13-11(2)15(17)18-14(13)8-10/h5,8,13-14,16H,2-4,6-7,9H2,1H3/b10-8-,12-5+/t13-,14+/m0/s1
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InChIKey
CSWGBLVUKVWCOS-YHLMXFKTSA-N
0 references
PubChem CID
101320297
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
97188127
1 reference
stated in
UniChem
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