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2,6-Epoxy-2H-1-benzoxocin, acetamide deriv.
SpectraBase Compound ID JKiIbROaiMv
InChI InChI=1S/C16H21NO5/c1-9(18)17(3)12-8-14-21-13-6-5-10(20-4)7-11(13)16(2,22-14)15(12)19/h5-7,12,14-15,19H,8H2,1-4H3/t12-,14-,15-,16+/m0/s1
InChIKey BPSIFRGWBJOTAI-QCEMKRCNSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SLEIMLZaAb
Name 2,6-Epoxy-2H-1-benzoxocin, acetamide deriv.
CAS Registry Number 131636-96-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-9(18)17(3)12-8-14-21-13-6-5-10(20-4)7-11(13)16(2,22-14)15(12)19/h5-7,12,14-15,19H,8H2,1-4H3/t12-,14-,15-,16+/m0/s1
InChIKey BPSIFRGWBJOTAI-QCEMKRCNSA-N
Molecular Weight 307.346 g/mol
SMILES O[C@]1([C@@](N(C(=O)C)C)(C[C@@]2(O[C@@]1(c1c(ccc(c1)OC)O2)C)[H])[H])[H]
SPLASH splash10-0gbi-7910000000-e85f29ec46e1a8c33196
Source of Spectrum J-56-1371-24
Synonyms Acetamide, N-methyl-N-(3,4,5,6-tetrahydro-5-hydroxy-8-methoxy-6-methyl-2,6-epoxy-2H-1-benzoxocin-4-yl)-, (2.alpha.,4.alpha.,5.beta.,6.alpha.)-(.+-.)- 6-Methyl-5-hydroxy-8-methoxy-4-[N-acetyl-N-methylamino]-2,6-epoxybenzo[2,3-a](tetrahydro)oxocin N-[(1R,9S,11S,12S)-12-hydroxy-4-methoxy-1-methyl-8,13-dioxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-11-yl]-N-methylacetamide
Wiley ID 1308923