| SpectraBase Spectrum ID |
LKYsp0IHECn |
| Name |
(1R*,8S*)-(+-)-1-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydro-8-(tosyloxymethyl)-cyclooctacyclodecene |
| Alternate Name(s) |
[(1R,8S)-1-(bromomethyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydrocycloocta[a]cyclodecen-8-yl]methyl 4-methylbenzenesulfonate |
| CAS Registry Number |
130760-53-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37BrO3S |
| InChI |
InChI=1S/C25H37BrO3S/c1-20-13-15-24(16-14-20)30(27,28)29-19-21-9-5-2-3-8-12-25-22(17-21)10-6-4-7-11-23(25)18-26/h13-16,21,23H,2-12,17-19H2,1H3/b25-22+/t21-,23-/m0/s1 |
| InChIKey |
KNFPHXMRCFDYCQ-AESLLBTPSA-N |
| Molecular Weight |
497.532 g/mol |
| SMILES |
c1(S(OC[C@@]2(C\C3=C\([C@](CBr)(CCCCC3)[H])CCCCCC2)[H])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0002-0090000000-db1c0b81b3595660ca98 |
| Source of Spectrum |
K-124-931-11 |
| Wiley ID |
1398205 |
