| SpectraBase Spectrum ID |
IW0s9JsAPh |
| Name |
(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-14-4-11-20(25-15(2)22)21-17(7-10-19(14)21)12-16-5-8-18(9-6-16)24-13-23-3/h5-6,8-9,17,19-21H,1,4,7,10-13H2,2-3H3/t17-,19+,20-,21+/m0/s1 |
| InChIKey |
UEMDZNINQUNJLY-FYZZASKESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
344.451 g/mol |
| Reported Formula |
C21H28O4 |
| SMILES |
[C@@]1(CC[C@]2([C@@]1([C@](CCC2=C)(OC(C)=O)[H])[H])[H])(Cc1ccc(cc1)OCOC)[H] |
| SPLASH |
splash10-001m-1901000000-f2827726a9bd4b14241b |
| Source of Spectrum |
MCS-3-SM9-8b |
| Wiley ID |
1864123 |
![(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate](/api/spectrum/IW0s9JsAPh/structure.png?h=300&w=458 "(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate")
