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APLYSISTATIN
SpectraBase Compound ID GPjVBhhzIMZ
InChI InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3/t10-,11-,12-,15-/m0/s1
InChIKey BEMNKPXNGWTBLQ-ASHKBJFXSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H21BrO3
Exact Mass 328.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cEM38syE3f
Name (3aR,4aS,7S,8aS)-7-bromo-4a,8,8-trimethyl-3a,4a,5,6,7,8,8a,9-octahydrofuro[3,4-b][1]benzoxepin-1(3H)-one
CAS Registry Number 71883-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO3
InChI InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3/t10-,11-,12-,15-/m0/s1
InChIKey BEMNKPXNGWTBLQ-ASHKBJFXSA-N
Molecular Weight 329.234 g/mol
SMILES C1=2C(OC[C@@]1(O[C@]1(CC[C@@](C([C@@]1(CC2)[H])(C)C)(Br)[H])C)[H])=O
SPLASH splash10-0006-9500000000-aa4ef8c1f6754176baff
Source of Spectrum C-104-6707-0
Synonyms (5aS,7S,9aS,10aR)-7-bromanyl-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one (5aS,7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one
Wiley ID 1325988