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Mesembrenol
SpectraBase Compound ID IcoMIqrcP98
InChI InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,13,16,19H,8-9,11H2,1-3H3/t13-,16+,17+/m1/s1
InChIKey PQBHZMSTECYZLH-COXVUDFISA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJkW7GSSzYX
Name 1H-Indol-6-ol, 3a-(3,4-dimethoxyphenyl)-2,3,3a,6,7,7a-hexahydro-1-methyl-, [3aR-(3a.alpha.,6.alpha.,7a.alpha.)]-
Alternate Name(s) (+)-Mesembrenol (3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-6-ol 4.alpha.,9.alpha.-mesembrenine, 7-deoxo-7.alpha.-hydroxy- Mesembrenol Mesembrenol, (+)-
CAS Registry Number 25516-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,13,16,19H,8-9,11H2,1-3H3/t13-,16+,17+/m1/s1
InChIKey PQBHZMSTECYZLH-COXVUDFISA-N
Molecular Weight 289.375 g/mol
SMILES O[C@@]1(C=C[C@@]2([C@@](N(C)CC2)(C1)[H])c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-00di-9050000000-e5439841939224c2d76e
Source of Spectrum O-11-10-1
Wiley ID 1292748