| SpectraBase Spectrum ID |
KGEKfL1TQ3N |
| Name |
2H-1-Benzopyran-3-ol, 2-(cyclohexyloxy)-3,4-dihydro-2-(4-methoxyphenyl)-, 4-methylbenzenesulfonate, trans-(.+-.)- |
| Alternate Name(s) |
(2S,3R)-2-(cyclohexyloxy)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-methylbenzenesulfonate
Toluene-p-sulphonate of 2,3-cis-p-cyclohexyloxy-3-hydroxy-4'-methoxyflavan |
| CAS Registry Number |
88215-05-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H32O6S |
| InChI |
InChI=1S/C29H32O6S/c1-21-12-18-26(19-13-21)36(30,31)35-28-20-22-8-6-7-11-27(22)34-29(28,33-25-9-4-3-5-10-25)23-14-16-24(32-2)17-15-23/h6-8,11-19,25,28H,3-5,9-10,20H2,1-2H3/t28-,29+/m1/s1 |
| InChIKey |
SHRMCHRYQVJJCF-WDYNHAJCSA-N |
| Molecular Weight |
508.629 g/mol |
| SMILES |
[C@@]1([C@](OS(c2ccc(cc2)C)(=O)=O)(Cc2c(O1)cccc2)[H])(OC1CCCCC1)c1ccc(cc1)OC |
| SPLASH |
splash10-000i-0900000000-3a319f40fd852fafb6c2 |
| Source of Spectrum |
KC-1983-1839-0 |
| Wiley ID |
1400185 |
