| SpectraBase Spectrum ID |
JOE47DfIYqy |
| Name |
(5S,6R)-5-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-decalin-1-one |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C21H30O3/c1-14-8-10-17-18(6-5-7-19(17)22)21(14,2)13-15-12-16(23-3)9-11-20(15)24-4/h9,11-12,14,17-18H,5-8,10,13H2,1-4H3/t14-,17?,18?,21+/m1/s1 |
| InChIKey |
GYKXMUSAZNYUSW-PWQWUFBGSA-N |
| Instrument Name |
Agilent HP6890- 5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202105733 |
| Molecular Weight |
330.468 g/mol |
| Optical Rotation |
[a]D20 = -2.7 (436 nm), +4.7 (546 nm), +2.7 (579 nm), -2.7 (589 nm) (c = 0.25, CHCl3) |
| SMILES |
[C@@]1(C2C(CC[C@]1(C)[H])C(CCC2)=O)(Cc1c(ccc(c1)OC)OC)C |
| SPLASH |
splash10-0ue9-2904000000-45881f4e8db5af931fae |
| Source of Spectrum |
ACI-60-SM15-22 |
| Thin-Layer Chromatography |
Rf = 0.36 (c-Hex/EtOAc, 5:1) |
| Wiley ID |
1882567 |
![(5S,6R)-5-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-decalin-1-one](/api/spectrum/JOE47DfIYqy/structure.png?h=300&w=458 "(5S,6R)-5-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-decalin-1-one")
