| SpectraBase Spectrum ID |
EVeOQevZiXT |
| Name |
[(3aR,4R,4aS,8S,8aS,9aS)-4-acetoxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-8-yl] acetate |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24O6 |
| InChI |
InChI=1S/C19H24O6/c1-9-6-7-14(23-11(3)20)19(5)8-13-15(10(2)18(22)25-13)17(16(9)19)24-12(4)21/h13-17H,1-2,6-8H2,3-5H3/t13-,14-,15+,16+,17-,19+/m0/s1 |
| InChIKey |
JBGDRCNWJFVVLR-NHDVRJRVSA-N |
| Instrument Name |
Micromass model Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020390y |
| Molecular Weight |
348.395 g/mol |
| Optical Rotation |
[a]D29 = -51 (c = 0.13, CHCl3) |
| Reported Formula |
C19H24O6 |
| SMILES |
C1[C@@]([C@]2(C[C@]3([C@]([C@@]([C@]2(C(C1)=C)[H])(OC(C)=O)[H])(C(C(O3)=O)=C)[H])[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-0ads-0950000000-107fb2a98628026a47fd |
| Source of Spectrum |
G4-66-947-2a |
| Wiley ID |
1881429 |
![[(3aR,4R,4aS,8S,8aS,9aS)-4-acetoxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-8-yl] acetate](/api/spectrum/EVeOQevZiXT/structure.png?h=300&w=458 "[(3aR,4R,4aS,8S,8aS,9aS)-4-acetoxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-8-yl] acetate")
