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(Q105344182)
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English
(3S,4aR,7S,7aS)-3-hydroxy-3'-[(1S)-1-hydroxyethyl]spiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-2'-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-3'-(1-hydroxyethyl)spiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-2'-one
1 reference
based on heuristic
inferred from SMILES
mass
252.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,4aR,7S,7aS)-3-hydroxy-3'-[(1S)-1-hydroxyethyl]spiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-2'-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,4aS,7R,7aR)-3-hydroxy-3'-[(1S)-1-hydroxyethyl]spiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-2'-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₅
0 references
canonical SMILES
O=C1OC2(C=CC3CC(O)OCC32)C=C1C(O)C
0 references
isomeric SMILES
C[C@H](O)C1=C[C@]2(C=C[C@H]3C[C@@H](O)OC[C@H]32)OC1=O
0 references
found in taxon
Plumeria rubra
1 reference
stated in
Complete NMR spectral assignments of two new iridoid diastereoisomers from the flowers of Plumeria rubra L. cv. acutifolia
Identifiers
InChI
InChI=1S/C13H16O5/c1-7(14)9-5-13(18-12(9)16)3-2-8-4-11(15)17-6-10(8)13/h2-3,5,7-8,10-11,14-15H,4,6H2,1H3/t7-,8-,10+,11-,13-/m0/s1
0 references
InChIKey
XXSIFLZTMKFILP-ZWNUICILSA-N
0 references
PubChem CID
162861263
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXSIFLZTMKFILP-ZWNUICILSA-N
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