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(Q105341393)
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English
(3aR)-3aalpha,6alpha-Dihydroxy-4,4,7abeta-trimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran-2(3H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3a,6-Dihydroxy-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
214.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,6R,7aS)-3a,6-dihydroxy-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS)-3abeta,6alpha-Dihydroxy-4,4,7aalpha-trimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran-2(3H)-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₈O₄
0 references
canonical SMILES
O=C1OC2(C)CC(O)CC(C)(C)C2(O)C1
0 references
isomeric SMILES
CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C[C@@]12O
0 references
found in taxon
Undaria pinnatifida
2 references
stated in
New loliolide derivatives from the brown alga Undaria pinnatifida
stated in
New loliolide derivatives from the brown alga Undaria pinnatifida
Identifiers
InChI
InChI=1S/C11H18O4/c1-9(2)4-7(12)5-10(3)11(9,14)6-8(13)15-10/h7,12,14H,4-6H2,1-3H3/t7-,10-,11+/m0/s1
0 references
InChIKey
XSZPDSCYNQJNEM-BKDNQFJXSA-N
0 references
PubChem CID
10910889
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XSZPDSCYNQJNEM-BKDNQFJXSA-N
UniChem compound ID
34207035
1 reference
stated in
UniChem
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