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(Q110080593)
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English
Isotetrandrine N2'-oxide
group of stereoisomers with the chemical formula C₃₈H₄₂N₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
638.299201684
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₄₂N₂O₇
0 references
canonical SMILES
[O-][N+]1(C)CCC2=CC(OC)=C3OC=4C(OC)=C(OC)C=C5C4C(N(C)CC5)CC6=CC=C(OC)C(OC7=CC=C(C=C7)CC1C2=C3)=C6
0 references
found in taxon
Schizanthus hookeri
1 reference
stated in
Angeloyl, tigloyl and senecioyloxytropane alkaloids from Schizanthus hookerii
Brugmansia arborea
1 reference
stated in
Alkaloids of Datura pruinosa
Identifiers
InChI
InChI=1S/C38H42N2O7/c1-39-15-13-26-21-35(44-5)37(45-6)38-36(26)29(39)17-24-9-12-31(42-3)33(19-24)46-27-10-7-23(8-11-27)18-30-28-22-34(47-38)32(43-4)20-25(28)14-16-40(30,2)41/h7-12,19-22,29-30H,13-18H2,1-6H3
0 references
InChIKey
XOKSQIGOCSEXEF-UHFFFAOYSA-N
0 references
PubChem CID
75069289
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOKSQIGOCSEXEF-UHFFFAOYSA-N
UniChem compound ID
77998090
1 reference
stated in
UniChem
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