| SpectraBase Spectrum ID |
5ZoQvjJQq7Y |
| Name |
(3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25FO5 |
| InChI |
InChI=1S/C20H25FO5/c1-12(22)26-19-8-6-17(23)15-5-4-14(20(15)19)9-13-3-7-18(16(21)10-13)25-11-24-2/h3,7,10,14-15,19-20H,4-6,8-9,11H2,1-2H3/t14-,15+,19-,20+/m0/s1 |
| InChIKey |
CMVDGJCZBSSMRX-IDENBPMYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
364.413 g/mol |
| Reported Formula |
C20H25FO5 |
| SMILES |
[C@@]1(CC[C@]2([C@@]1([C@](CCC2=O)(OC(C)=O)[H])[H])[H])(Cc1ccc(c(c1)F)OCOC)[H] |
| SPLASH |
splash10-052k-9442000000-6cdfed66ca5949a2b816 |
| Source of Spectrum |
MCS-3-SM7-7c |
| Wiley ID |
1864120 |
![(3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4-yl acetate](/api/spectrum/5ZoQvjJQq7Y/structure.png?h=300&w=458 "(3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4-yl acetate")
