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(Q105121493)
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English
16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide
group of stereoisomers with the chemical formula C₂₅H₃₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
432.25118887199983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₆O₆
0 references
canonical SMILES
O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C
0 references
found in taxon
Nerium oleander
2 references
stated in
Die Glykoside der Samen von Nerium oleander L.. Glykoside und Aglykone, 200. Mitteilung
stated in
Bioactive cardenolides from the stems and twigs of Nerium oleander.
Identifiers
InChI
InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3
0 references
InChIKey
IWCNCUVTGOMGKG-UHFFFAOYSA-N
0 references
PubChem CID
288101
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IWCNCUVTGOMGKG-UHFFFAOYSA-N
UniChem compound ID
1030444
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60963586
1 reference
matched by identifier from
InChIKey
InChIKey
IWCNCUVTGOMGKG-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0255934
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IWCNCUVTGOMGKG-UHFFFAOYSA-N
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