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(Q105369178)
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English
(1R,3R,5S,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enoate
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
Meteloidine
1 reference
based on heuristic
inferred from SMILES
mass
255.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₁NO₄
0 references
canonical SMILES
O=C(OC1CC2N(C)C(C1)C(O)C2O)C(=CC)C
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isomeric SMILES
C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@H](O)[C@H](O)[C@@H](C1)N2C
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found in taxon
Datura ferox
2 references
stated in
The partition chromatography of alkaloids; the alkaloids of Australian Datura ferox and of Indian henbane
stated in
274. The alkaloids of the roots of datura
Datura quercifolia
2 references
stated in
The partition chromatography of alkaloids; the alkaloids of Australian Datura ferox and of Indian henbane
stated in
274. The alkaloids of the roots of datura
Datura innoxia
1 reference
stated in
274. The alkaloids of the roots of datura
Datura inoxia
1 reference
stated in
274. The alkaloids of the roots of datura
Brugmansia sanguinea
1 reference
stated in
The alkaloids of the genus Datura, section brugmansia. Part V. Alkaloids of D. sanguinea R. and P. and related esters of tropane-3α,6β,7β-triol
Identifiers
InChI
InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9-,10+,11-,12+
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InChIKey
YZFJTFVPCWEPND-BDYNUDSHSA-N
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CAS Registry Number
526-13-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
DSSTox substance ID
DTXSID901318120
1 reference
matched by identifier from
InChIKey
InChIKey
YZFJTFVPCWEPND-BDYNUDSHSA-N
UNII
JN0S84O367
1 reference
matched by identifier from
InChIKey
InChIKey
YZFJTFVPCWEPND-BDYNUDSHSA-N
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