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(2S)-1-[(1S,3S)-1-(methoxymethyl)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methyl-4-hexen-2-ol
SpectraBase Compound ID GPmpuZz00GQ
InChI InChI=1S/C26H35NO3/c1-20(2)13-14-24(28)16-27-23(18-30-17-21-9-5-4-6-10-21)15-22-11-7-8-12-25(22)26(27)19-29-3/h4-13,23-24,26,28H,14-19H2,1-3H3/t23-,24-,26+/m0/s1
InChIKey IUJHYBDAQDJWIB-KYPHJKQUSA-N
Mol Weight 409.6 g/mol
Molecular Formula C26H35NO3
Exact Mass 409.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cqp4T3XtFrK
Name (2S)-1-[(1S,3S)-1-(methoxymethyl)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methyl-4-hexen-2-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO3
InChI InChI=1S/C26H35NO3/c1-20(2)13-14-24(28)16-27-23(18-30-17-21-9-5-4-6-10-21)15-22-11-7-8-12-25(22)26(27)19-29-3/h4-13,23-24,26,28H,14-19H2,1-3H3/t23-,24-,26+/m0/s1
InChIKey IUJHYBDAQDJWIB-KYPHJKQUSA-N
Molecular Weight 409.570 g/mol
SMILES O[C@@](CC=C(C)C)(CN1[C@@](c2ccccc2C[C@]1(COCc1ccccc1)[H])(COC)[H])[H]
SPLASH splash10-03dl-4219000000-07f00a8e258c58b6a08c
Source of Spectrum K1-2004-3619-30
Synonyms (2S)-1-[(1S,3S)-1-(methoxymethyl)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methyl-hex-4-en-2-ol (2S)-1-[(1S,3S)-3-(benzoxymethyl)-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methyl-hex-4-en-2-ol (2S)-1-[(1S,3S)-3-(benzyloxymethyl)-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methyl-hex-4-en-2-ol
Wiley ID 1561436