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(Q104667786)
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English
(S)-Isoverbasikrine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[3-(4-Methoxyphenyl)prop-2-enoyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one
1 reference
based on heuristic
inferred from SMILES
mass
492.31004114
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(S)-Verbasikrine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₄₀N₄O₃
0 references
canonical SMILES
COc1ccc(C=CC(=O)N2CCCCNCCCNC(c3ccccc3)CC(=O)NCCC2)cc1
0 references
isomeric SMILES
COc1ccc(/C=C\C(=O)N2CCCCNCCCN[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/C29H40N4O3/c1-36-26-14-11-24(12-15-26)13-16-29(35)33-21-6-5-17-30-18-7-19-31-27(25-9-3-2-4-10-25)23-28(34)32-20-8-22-33/h2-4,9-16,27,30-31H,5-8,17-23H2,1H3,(H,32,34)/b16-13-/t27-/m0/s1
0 references
InChIKey
XHTALCPRDZVQLY-LAGAIYJSSA-N
0 references
PubChem CID
101043950
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XHTALCPRDZVQLY-LAGAIYJSSA-N
UniChem compound ID
96794449
1 reference
stated in
UniChem
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