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 |