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(Q104252571)
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Verbasitrine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one
1 reference
based on heuristic
inferred from SMILES
mass
522.320605824
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isoverbasitrine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₂N₄O₄
0 references
canonical SMILES
COc1ccc(C=CC(=O)N2CCCCNCCCNC(c3ccccc3)CC(=O)NCCC2)cc1OC
0 references
isomeric SMILES
COc1ccc(/C=C/C(=O)N2CCCCNCCCN[C@H](c3ccccc3)CC(=O)NCCC2)cc1OC
0 references
found in taxon
Verbascum pseudonobile
2 references
stated in
Separation of E-Z isomeric macrocyclic spermine alkakoids of Verbascum pseudonobile and Verbascum phoeniceum and of their derivatives using thin-layer chromatography
stated in
Macrocyclic Spermine Alkaloids fromVerbascum: The (E/Z)-Isomeric Pairs (−)-(S)-Verbasitrine/(−)-(S)-Isoverbasitrine and (+)-(S)-Verbametrine/(+)-(S)-Isoverbametrine: Isolation, Structure Elucidation, and Synthesis
Identifiers
InChI
InChI=1S/C30H42N4O4/c1-37-27-14-12-24(22-28(27)38-2)13-15-30(36)34-20-7-6-16-31-17-8-18-32-26(25-10-4-3-5-11-25)23-29(35)33-19-9-21-34/h3-5,10-15,22,26,31-32H,6-9,16-21,23H2,1-2H3,(H,33,35)/b15-13+/t26-/m0/s1
0 references
InChIKey
KHXMIZBSBCSMPA-PUESRJFGSA-N
0 references
PubChem CID
15860020
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96722793
1 reference
stated in
UniChem
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