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(Q105370954)
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(3aR,7aS)-3a-hydroxy-hexahydro-1-benzofuran-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3a-hydroxy-hexahydro-1-benzofuran-6-one
1 reference
based on heuristic
inferred from SMILES
mass
156.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,7aR)-3a-hydroxy-hexahydro-1-benzofuran-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,7aS)-3a-hydroxy-hexahydro-1-benzofuran-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₂O₃
0 references
canonical SMILES
O=C1CCC2(O)CCOC2C1
0 references
isomeric SMILES
O=C1CC[C@@]2(O)CCO[C@H]2C1
0 references
found in taxon
Clerodendrum indicum
1 reference
stated in
New Cleroindicins fromClerodendrum indicum
Incarvillea mairei
1 reference
stated in
Chemical constituents of Incarvillea mairei var. grandiflora
Incarvillea mairei var. grandiflora
1 reference
stated in
Chemical constituents of Incarvillea mairei var. grandiflora
Millingtonia hortensis
1 reference
stated in
Cyclohexylethanoids and related glucosides from Millingtonia hortensis
Clerodendrum bungei
1 reference
stated in
Constituents of Clerodendrum bungei
Identifiers
InChI
InChI=1S/C8H12O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h7,10H,1-5H2/t7-,8+/m0/s1
0 references
InChIKey
ZCBQZDMJIVJQLX-JGVFFNPUSA-N
0 references
PubChem CID
10975728
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCBQZDMJIVJQLX-JGVFFNPUSA-N
UniChem compound ID
34288768
1 reference
stated in
UniChem
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