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(Q82096111)
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English
GADESINE
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aconitane alkaloid
0 references
mass
421.24643784
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₅NO₆
0 references
canonical SMILES
OC1C2CC3C1C(O)(CC2OC)C4(O)C(OC)C5C6(C)CCC7OC6N(CC)C4C735
0 references
found in taxon
Delphinium gracile
2 references
stated in
The structures of cardionine and 11-acetylcardionine, new C20-diterpenoid alkaloids, from the selective INAPT NMR technique
stated in
Gracinine, a New C-19 Diterpenoid Alkaloid from Delphinium gracile DC
Identifiers
InChI
InChI=1S/C23H35NO6/c1-5-24-18-22-11-8-10-12(28-3)9-21(26,14(11)15(10)25)23(18,27)17(29-4)16(22)20(2)7-6-13(22)30-19(20)24/h10-19,25-27H,5-9H2,1-4H3
0 references
InChIKey
AWWAQKSURZEXBW-UHFFFAOYSA-N
0 references
CAS Registry Number
70420-60-9
0 references
PubChem CID
436043
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AWWAQKSURZEXBW-UHFFFAOYSA-N
UniChem compound ID
64161562
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20331166
1 reference
matched by identifier from
InChIKey
InChIKey
AWWAQKSURZEXBW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20282260
0 references
NSC number
381420
0 references
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