| SpectraBase Spectrum ID |
BvrIvk2Pwfs |
| Name |
(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4 -yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-13(21)25-19-10-9-18(22)17-8-5-15(20(17)19)11-14-3-6-16(7-4-14)24-12-23-2/h3-4,6-7,15,17,19-20H,5,8-12H2,1-2H3/t15-,17+,19-,20+/m0/s1 |
| InChIKey |
MOWOJJDVEZVGSU-MFHCWRBVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
346.423 g/mol |
| Reported Formula |
C20H26O5 |
| SMILES |
[C@@]1(CC[C@]2([C@@]1([C@](CCC2=O)(OC(C)=O)[H])[H])[H])(Cc1ccc(cc1)OCOC)[H] |
| SPLASH |
splash10-0fdo-0901000000-37732557020f430350ff |
| Source of Spectrum |
MCS-3-SM6-7b |
| Wiley ID |
1864119 |
![(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4 -yl acetate](/api/spectrum/BvrIvk2Pwfs/structure.png?h=300&w=458 "(3S*,3aR*,4S*,7aS*)-3-[4-(Methoxymethoxy)benzyl]-7-oxooctahydro-1H-inden-4 -yl acetate")
