| SpectraBase Spectrum ID |
GBxhRw0znwv |
| Name |
Methyl 4,8a-dimethyl-1-phenylseleno-3-oxooctahydronaphthalen-6-alpha.-methylacetate isomer |
| Alternate Name(s) |
2-((2R,5S)-4a,8-Dimethyl-7-oxo-5-phenylselanyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-2-yl)-propionic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O3Se |
| InChI |
InChI=1S/C22H28O3Se/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,20H,10-13H2,1-4H3/t14?,16-,20+,22?/m1/s1 |
| InChIKey |
MIMCJPYYKKEODO-ATJMNNECSA-N |
| Molecular Weight |
419.435 g/mol |
| SMILES |
C=12C([C@@]([Se]c3ccccc3)(CC(C1C)=O)[H])(CC[C@](C2)(C(C(=O)OC)C)[H])C |
| SPLASH |
splash10-03di-0090100000-9517a49c1d686fe89b64 |
| Source of Spectrum |
AT-32-3416-7 |
| Wiley ID |
836018 |
