| SpectraBase Spectrum ID |
6Qp53dUEZ4R |
| Name |
(2.alpha.,4a.alpha.,6.beta.,8a.beta.)-(.+-.)-6-bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran-2-ethanol 4-methylbenzenesulfonate |
| CAS Registry Number |
71050-11-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H33BrO4S |
| InChI |
InChI=1S/C22H33BrO4S/c1-16-6-8-17(9-7-16)28(24,25)26-15-14-21(4)12-10-18-20(2,3)19(23)11-13-22(18,5)27-21/h6-9,18-19H,10-15H2,1-5H3/t18-,19-,21+,22-/m0/s1 |
| InChIKey |
OBWFCTYXBFTOIZ-MPJJRAAHSA-N |
| Molecular Weight |
473.466 g/mol |
| SMILES |
c1(S(=O)(=O)OCC[C@@]2(O[C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(Br)[H])C)C)ccc(cc1)C |
| SPLASH |
splash10-002r-0790300000-2168bc9ec0341c8ab355 |
| Source of Spectrum |
J-44-3466-0 |
| Synonyms |
2-[(2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyloctahydro-2H-chromen-2-yl]ethyl 4-methylbenzenesulfonate |
| Wiley ID |
124866 |
