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ERYSOTHRINE

View entire compound with spectra: 2 NMR, and 2 MS (GC)

ERYSOTHRINE
SpectraBase Compound ID HcAwve6Lyki
InChI InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
InChIKey WXVSPYOOFCCEII-KXBFYZLASA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tnkCvW8aO
Name (2R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
Alternate Name(s) (2R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indol[7a,1-a]isoquinoline Erysotrine
CAS Registry Number 27740-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
InChIKey WXVSPYOOFCCEII-KXBFYZLASA-N
Molecular Weight 313.397 g/mol
SMILES [C@]123N(CCc4c3cc(c(c4)OC)OC)CC=C2C=C[C@@](C1)(OC)[H]
SPLASH splash10-01qa-0094000000-0afa26cad10c54e81b9d
Source of Spectrum X2-54-330-1
Wiley ID 1603876