Hernagine

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Systematic / IUPAC Name: (6aS)-1,2,11-Trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol

ID: Reference7629

Other Names: 3,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-ol

Formula: C19H21NO4

Spectral Data

Hernagine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 8:12:02 AM
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Identificators

InChI InChI=1S/C19H21NO4/c1-22-14-9-11-6-7-20-12-8-10-4-5-13(21)18(23-2)16(10)17(15(11)12)19(14)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1
InChI Key MULATNABYLUECQ-LBPRGKRZSA-N
Canonical SMILES COC1=C(C2=C3C(CC4=C2C(=C(C=C4)O)OC)NCCC3=C1)OC
CAS
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Other Names 3,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-ol

In Other Databases

PubChem 26212854