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1H-Indol-6-ol, 2,3,3a,6,7,7a-hexahydro-3a-(4-hydroxy-3-methoxyphenyl)-1-methyl-, [3aS-(3a.alpha.,6.alpha.,7a.alpha.)]-
SpectraBase Compound ID 78QF81RwLLQ
InChI InChI=1S/C16H21NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-13(19)14(9-11)20-2/h3-6,9,12,15,18-19H,7-8,10H2,1-2H3/t12-,15+,16+/m0/s1
InChIKey JZSWMKUAEHCXIE-APHBMKBZSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FcbOAbY257
Name 1H-Indol-6-ol, 2,3,3a,6,7,7a-hexahydro-3a-(4-hydroxy-3-methoxyphenyl)-1-methyl-, [3aS-(3a.alpha.,6.alpha.,7a.alpha.)]-
CAS Registry Number 25516-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-13(19)14(9-11)20-2/h3-6,9,12,15,18-19H,7-8,10H2,1-2H3/t12-,15+,16+/m0/s1
InChIKey JZSWMKUAEHCXIE-APHBMKBZSA-N
Molecular Weight 275.348 g/mol
SMILES O[C@@]1(C[C@@]2([C@@](c3ccc(c(c3)OC)O)(CCN2C)C=C1)[H])[H]
SPLASH splash10-05fr-8090000000-4fe3c8cc2def91e9d86a
Source of Spectrum O-11-8-3
Synonyms (3aS,6R,7aR)-3a-(4-hydroxy-3-methoxyphenyl)-1-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-6-ol 4'-O-demethylmesembrenol 4.alpha.,9.alpha.-mesembrenine, o4'-demethyl-7-deoxo-7.alpha.-hydroxy-
Wiley ID 1279156