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(Q82953247)
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Trichodesmine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
macrolides
0 references
pyrrolizidine alkaloid
0 references
mass
353.183837584
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,4S,5S,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₇NO₆
0 references
canonical SMILES
O=C1OC2CCN3CC=C(COC(=O)C(O)(C)C(O)(C)C1C(C)C)C32
0 references
isomeric SMILES
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
0 references
found in taxon
Trichodesma africanum
1 reference
stated in
Chemical and toxicity studies of Trichodesma africanum L.
Crotalaria globifera
1 reference
stated in
Globiferine a pyrrolizidine alkaloid from crotalaria globifera
Crotalaria recta
1 reference
stated in
Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968
Trichodesma incanum
2 references
stated in
Crystal and molecular structure of the macrocyclic pyrrolizidine alkaloid trichodesmine
stated in
Preparative separation of pyrrolizidine alkaloids by high-speed counter-current chromatography
Crotalaria aegyptiaca
1 reference
stated in
Pyrrolizidine alkaloids from Crotalaria aegyptiaca
Crotalaria sessiliflora
1 reference
stated in
Pyrrolizidine Alkaloids from the Seeds of Crotalaria sessiliflora
Identifiers
InChI
InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
0 references
InChIKey
SOODLZHDDSGRKL-FOOXYVKASA-N
0 references
CAS Registry Number
548-90-3
1 reference
InChIKey
SOODLZHDDSGRKL-FOOXYVKASA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=548-90-3
PubChem CID
119040
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOODLZHDDSGRKL-FOOXYVKASA-N
UniChem compound ID
849265
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50970148
1 reference
matched by identifier from
InChIKey
InChIKey
SOODLZHDDSGRKL-FOOXYVKASA-N
DSSTOX compound identifier
DTXCID501397685
0 references
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