| SpectraBase Spectrum ID |
GhuXyAEoZBX |
| Name |
(4aS,8aS)-3-Ethyl-2-(furan-3-ylmethyl)-5,5,8a-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-5-15-12-17-19(2,3)8-6-9-20(17,4)18(21)16(15)11-14-7-10-22-13-14/h7,10,13,17H,5-6,8-9,11-12H2,1-4H3/t17-,20-/m0/s1 |
| InChIKey |
FEHAAHKDGHYHAU-PXNSSMCTSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00200 |
| Molecular Weight |
300.442 g/mol |
| Optical Rotation |
[a]D20 = -91 (c = 0.9, CHCl3) |
| Reported Formula |
C20H28O2 |
| SMILES |
C1C[C@]2([C@](C(C1)(C)C)(CC(=C(C2=O)Cc1cocc1)CC)[H])C |
| SPLASH |
splash10-0uea-4539000000-a61fa7ee7fa80f95145e |
| Source of Spectrum |
G4-83-2159-1 |
| Wiley ID |
1876889 |
