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Epimacronine
SpectraBase Compound ID 1XlqPMuM94r
InChI InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15+,16+,18+/m1/s1
InChIKey YEISBJOTHHFANE-NJVUAGGXSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETVVZieTW3e
Name Epimacronine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15+,16+,18+/m1/s1
InChIKey YEISBJOTHHFANE-NJVUAGGXSA-N
Molecular Weight 329.352 g/mol
SMILES [C@]123[C@@](N(C[C@@]1(OC(c1c2cc2c(OCO2)c1)=O)[H])C)(C[C@](OC)(C=C3)[H])[H]
SPLASH splash10-0f6t-0093000000-c400f7476a2ae1f06fdc
Source of Spectrum PA-19-415-32
Synonyms (3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[4',5':6,7]isochromeno[3,4-c]indol-8-one
Wiley ID 1789585