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(1R*,3R*,6S*,8R*,10R*)-8-Hydroxy-1,10-dimethyltricyclo[4.4.0.0(3,8)]decan-2-one brosylate
SpectraBase Compound ID 3xHUyC7xa3J
InChI InChI=1S/C18H21BrO4S/c1-11-9-18(10-12-3-8-15(18)16(20)17(11,12)2)23-24(21,22)14-6-4-13(19)5-7-14/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15+,17-,18-/m1/s1
InChIKey OXSHOKBIKVTEBY-ZGBLPPDBSA-N
Mol Weight 413.33 g/mol
Molecular Formula C18H21BrO4S
Exact Mass 412.034393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3mL1WuTunj
Name (1R*,3R*,6S*,8R*,10R*)-8-Hydroxy-1,10-dimethyltricyclo[4.4.0.0(3,8)]decan-2-one brosylate
CAS Registry Number 55090-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrO4S
InChI InChI=1S/C18H21BrO4S/c1-11-9-18(10-12-3-8-15(18)16(20)17(11,12)2)23-24(21,22)14-6-4-13(19)5-7-14/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15+,17-,18-/m1/s1
InChIKey OXSHOKBIKVTEBY-ZGBLPPDBSA-N
Molecular Weight 413.326 g/mol
SMILES [C@]12(OS(c3ccc(cc3)Br)(=O)=O)[C@@]3(C(=O)[C@@]([C@@](C1)(C)[H])(C)[C@](C2)(CC3)[H])[H]
SPLASH splash10-03dl-3900000000-31433c2b9de7e90532a6
Source of Spectrum J-40-2087-0
Synonyms (1R,3S,6R,8R,9R)-8,9-dimethyl-7-oxotricyclo[4.4.0.0(3,8)]dec-1-yl 4-bromobenzenesulfonate
Wiley ID 1374288