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(Q105193109)
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English
(3R,6R)-3,6-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cycloheptan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cycloheptane monoterpenoid
0 references
mass
332.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₈O₇
0 references
canonical SMILES
O=C1CC(C)CCC(C)(COC2OC(CO)C(O)C(O)C2O)C1
0 references
isomeric SMILES
C[C@@H]1CC[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)C1
0 references
found in taxon
Euphorbia decipiens
1 reference
stated in
Structure elucidation of two new unusual monoterpene glycosides from Euphorbia decipiens, by 1D and 2D NMR experiments
Euphorbia polycaulis
1 reference
stated in
Structure elucidation of two new unusual monoterpene glycosides from Euphorbia decipiens, by 1D and 2D NMR experiments
Identifiers
InChI
InChI=1S/C16H28O7/c1-9-3-4-16(2,6-10(18)5-9)8-22-15-14(21)13(20)12(19)11(7-17)23-15/h9,11-15,17,19-21H,3-8H2,1-2H3/t9-,11-,12-,13+,14-,15-,16-/m1/s1
0 references
InChIKey
OJIJRLSRFSISSF-YUKCJYJJSA-N
0 references
PubChem CID
162867568
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OJIJRLSRFSISSF-YUKCJYJJSA-N
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