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(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-2,3,5,6,7,7a-hexahydro-1H-indole

View entire compound with spectra: 1 MS (GC)

(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-2,3,5,6,7,7a-hexahydro-1H-indole
SpectraBase Compound ID 6VRqFTBREfI
InChI InChI=1S/C26H31NO6/c1-28-15-31-26-11-20-21(18-6-9-23-25(10-18)33-16-32-23)14-27(22(20)12-24(26)30-3)13-17-4-7-19(29-2)8-5-17/h4-11,21-22,24,26H,12-16H2,1-3H3/t21-,22-,24-,26-/m1/s1
InChIKey HOUQNWBLCQPZGJ-HLMLHLEXSA-N
Mol Weight 453.54 g/mol
Molecular Formula C26H31NO6
Exact Mass 453.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHotjNbT2Vb
Name (3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-2,3,5,6,7,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO6
InChI InChI=1S/C26H31NO6/c1-28-15-31-26-11-20-21(18-6-9-23-25(10-18)33-16-32-23)14-27(22(20)12-24(26)30-3)13-17-4-7-19(29-2)8-5-17/h4-11,21-22,24,26H,12-16H2,1-3H3/t21-,22-,24-,26-/m1/s1
InChIKey HOUQNWBLCQPZGJ-HLMLHLEXSA-N
Literature Reference DOI 10.1021/ol801815k
Molecular Weight 453.535 g/mol
SMILES C1=C2[C@](CN([C@@]2(C[C@]([C@@]1(OCOC)[H])(OC)[H])[H])Cc1ccc(cc1)OC)(c1cc2c(cc1)OCO2)[H]
SPLASH splash10-0fk9-2907500000-3823db067fd5ffe31e11
Source of Spectrum A1-10-4693/SMS15-19
Wiley ID 1759929