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(8R*,14S*)-8-Benzylcanadine
SpectraBase Compound ID 46BpwEgtLX
InChI InChI=1S/C27H27NO4/c1-29-23-9-8-19-13-21-20-15-25-24(31-16-32-25)14-18(20)10-11-28(21)22(26(19)27(23)30-2)12-17-6-4-3-5-7-17/h3-9,14-15,21-22H,10-13,16H2,1-2H3/t21-,22+/m0/s1
InChIKey SKWMDAJIQZJZKL-FCHUYYIVSA-N
Mol Weight 429.52 g/mol
Molecular Formula C27H27NO4
Exact Mass 429.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OnBBwWl3fa
Name (8R*,14S*)-8-Benzylcanadine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO4
InChI InChI=1S/C27H27NO4/c1-29-23-9-8-19-13-21-20-15-25-24(31-16-32-25)14-18(20)10-11-28(21)22(26(19)27(23)30-2)12-17-6-4-3-5-7-17/h3-9,14-15,21-22H,10-13,16H2,1-2H3/t21-,22+/m0/s1
InChIKey SKWMDAJIQZJZKL-FCHUYYIVSA-N
Molecular Weight 429.516 g/mol
SMILES [C@@]12(N(CCc3cc4OCOc4cc23)[C@@](c2c(C1)ccc(c2OC)OC)(Cc1ccccc1)[H])[H]
SPLASH splash10-000i-1009000000-a8a059d5e90c463b2a76
Source of Spectrum K1-2004-4317-3
Synonyms (8R,13aS)-8-benzyl-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
Wiley ID 1561714