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(3aR*,4R*,,5R*,7aS*)-Octahydro-1-methyl-4,5-O-isopropylidenedioxy-3a-(3,4-methylenedioxy)phenylindole
SpectraBase Compound ID 5k50vutdSRi
InChI InChI=1S/C19H25NO4/c1-18(2)23-14-6-7-16-19(17(14)24-18,8-9-20(16)3)12-4-5-13-15(10-12)22-11-21-13/h4-5,10,14,16-17H,6-9,11H2,1-3H3/t14-,16+,17+,19-/m0/s1
InChIKey KBBKIOJWKYLSNF-WFEDQXDTSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHX4Keh6P1V
Name (3aR*,4R*,,5R*,7aS*)-Octahydro-1-methyl-4,5-O-isopropylidenedioxy-3a-(3,4-methylenedioxy)phenylindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-18(2)23-14-6-7-16-19(17(14)24-18,8-9-20(16)3)12-4-5-13-15(10-12)22-11-21-13/h4-5,10,14,16-17H,6-9,11H2,1-3H3/t14-,16+,17+,19-/m0/s1
InChIKey KBBKIOJWKYLSNF-WFEDQXDTSA-N
Molecular Weight 331.412 g/mol
SMILES [C@@]12([C@@]3(OC(C)(C)O[C@]3(CC[C@]1(N(C)CC2)[H])[H])[H])c1cc2OCOc2cc1
SPLASH splash10-0fr6-5090000000-cda2734646c19e465295
Source of Spectrum J-63-3615-31
Synonyms (3aR,5aS,8aR,8bR)-8a-(1,3-benzodioxol-5-yl)-2,2,6-trimethyloctahydro-3aH-[1,3]dioxolo[4,5-e]indole (3aS,5aR,8aS,8bS)-8a-(1,3-benzodioxol-5-yl)-2,2,6-trimethyl-4,5,5a,7,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e]indole
Wiley ID 1328772