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(Q104667916)
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English
(S)-Verbamekrine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(S)-Isoverbamekrine
1 reference
based on heuristic
inferred from SMILES
9-[3-(4-Methoxyphenyl)prop-2-enoyl]-2-phenyl-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one
1 reference
based on heuristic
inferred from SMILES
mass
504.31004114
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₀N₄O₃
0 references
canonical SMILES
COc1ccc(C=CC(=O)N2CCCCN3CCCN(C3)C(c3ccccc3)CC(=O)NCCC2)cc1
0 references
isomeric SMILES
COc1ccc(/C=C/C(=O)N2CCCCN3CCCN(C3)[C@H](c3ccccc3)CC(=O)NCCC2)cc1
0 references
found in taxon
Verbascum pseudonobile
1 reference
stated in
Macrocyclic Spermine Alkaloids fromVerbascum: Isolation, Structure Elucidation, and Syntheses of the (E/Z)-Isomeric Pairs (S)-Verbasikrine/(S)-Isoverbasikrine and (S)-Verbamekrine/(S)-Isoverbamekrine
Identifiers
InChI
InChI=1S/C30H40N4O3/c1-37-27-14-11-25(12-15-27)13-16-30(36)33-20-6-5-18-32-19-8-22-34(24-32)28(26-9-3-2-4-10-26)23-29(35)31-17-7-21-33/h2-4,9-16,28H,5-8,17-24H2,1H3,(H,31,35)/b16-13+/t28-/m0/s1
0 references
InChIKey
OLUFSXRSVORTNJ-QLQFBOQQSA-N
0 references
PubChem CID
15858029
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OLUFSXRSVORTNJ-QLQFBOQQSA-N
UniChem compound ID
96888226
1 reference
stated in
UniChem
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