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N(10)-ACETYLEUDISTOMIN
SpectraBase Compound ID HJIiqlJmGw2
InChI InChI=1S/C16H18BrN3O2S/c1-9(21)18-14-7-23-8-22-20-5-4-11-12-6-10(17)2-3-13(12)19-15(11)16(14)20/h2-3,6,14,16,19H,4-5,7-8H2,1H3,(H,18,21)/t14-,16+/m1/s1
InChIKey DUTYWVNXOZDNLC-ZBFHGGJFSA-N
Mol Weight 396.3 g/mol
Molecular Formula C16H18BrN3O2S
Exact Mass 395.030311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlNGugGBeQq
Name Acetamide, N-(10-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-1-yl)-, trans-(.+-.)-
CAS Registry Number 123492-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrN3O2S
InChI InChI=1S/C16H18BrN3O2S/c1-9(21)18-14-7-23-8-22-20-5-4-11-12-6-10(17)2-3-13(12)19-15(11)16(14)20/h2-3,6,14,16,19H,4-5,7-8H2,1H3,(H,18,21)/t14-,16+/m1/s1
InChIKey DUTYWVNXOZDNLC-ZBFHGGJFSA-N
Molecular Weight 396.303 g/mol
SMILES N([C@]1([C@]2(c3c(CCN2OCSC1)c1cc(Br)ccc1[nH]3)[H])[H])C(=O)C
SPLASH splash10-014i-0193000000-51106960829e6292631c
Source of Spectrum I-68-1418-2
Synonyms [1,6,2]Oxathiazepino[2',3':1,2]pyrido[3,4-b]indole, acetamide deriv. (.+-.)-N(10)-Acetyleudistomin L (.+-.)-N-Acetyleudistomine L N(10)-acetyleudistomin L N-[(1S,13bS)-10-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-1-yl]acetamide
Wiley ID 1366962