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Crebanine
SpectraBase Compound ID 7Ip9attk0I9
InChI InChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKey UVDQDNQWGQFIAO-CQSZACIVSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqpivW8m9rV
Name Crebanine
CAS Registry Number 25127-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKey UVDQDNQWGQFIAO-CQSZACIVSA-N
Molecular Weight 339.391 g/mol
SMILES c12c3-c4ccc(c(c4C[C@]2(N(C)CCc1cc1OCOc31)[H])OC)OC
SPLASH splash10-000i-4139000000-53121454d0cdef04cc9a
Source of Spectrum CD-96-0-0
Synonyms 5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (R)- 8,9-Dimethoxy-1,2-(methylenedioxy)aporphine Aporphine, 8,9-dimethoxy-1,2-(methylenedioxy)- Crebanin
Wiley ID 1334555