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(Q82945006)
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Strospeside 16-acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3aS,3bR,5aR,9aS,9bR,11aR)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
1 reference
based on heuristic
inferred from SMILES
(2S,3aS,5aR,7S,9aS,11aR)-7-{[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
592.324747736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₄₈O₁₀
0 references
canonical SMILES
O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)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
Triterpenoids from the leaves of Nerium oleander
Identifiers
InChI
InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3
0 references
InChIKey
UZQOZJNEDXAJEZ-UHFFFAOYSA-N
0 references
CAS Registry Number
4420-67-1
0 references
PubChem CID
199571
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
55763888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60963187
0 references
DSSTOX compound identifier
DTXCID701390954
0 references
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