| SpectraBase Spectrum ID |
4Y3sq9xQyvC |
| Name |
(1S,2R,3S,5R,2'R)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-hydroxymethylbicyclo[3.1.1]heptane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3S |
| InChI |
InChI=1S/C20H28O3S/c1-4-23-19(18(22)13-8-6-5-7-9-13)24-17-11-14-10-16(15(17)12-21)20(14,2)3/h5-9,14-17,19,21H,4,10-12H2,1-3H3/t14-,15+,16+,17+,19-/m1/s1 |
| InChIKey |
SSWUMGKDIQNSGR-NLEPDTAZSA-N |
| Molecular Weight |
348.501 g/mol |
| SMILES |
OC[C@@]1([C@@](S[C@](C(=O)c2ccccc2)(OCC)[H])(C[C@@]2(C([C@]1(C2)[H])(C)C)[H])[H])[H] |
| SPLASH |
splash10-054o-9540000000-196e9d66ce0ab2aa4fef |
| Source of Spectrum |
KD-16-1840-5 |
| Synonyms |
(2R)-2-ethoxy-2-{[(1S,2R,3S,5R)-2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]sulfanyl}-1-phenylethanone |
| Wiley ID |
1637751 |
![(1S,2R,3S,5R,2'R)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-hydroxymethylbicyclo[3.1.1]heptane](/api/spectrum/4Y3sq9xQyvC/structure.png?h=300&w=458 "(1S,2R,3S,5R,2'R)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-hydroxymethylbicyclo[3.1.1]heptane")
