| SpectraBase Spectrum ID |
1t8RKMgpH3R |
| Name |
(-)-(1S,4S,5S,6S)-6-Acetyl-6-benzoyl-8-methylene-2,2,4-trimethylbicyclo[3.3.1]nonan-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.188194694 u |
| Formula |
C22H26O3 |
| InChI |
InChI=1S/C22H26O3/c1-13-12-22(15(3)23,20(25)16-9-7-6-8-10-16)18-11-17(13)21(4,5)19(24)14(18)2/h6-10,14,17-18H,1,11-12H2,2-5H3/t14-,17-,18-,22+/m0/s1 |
| InChIKey |
XYWMGIFUAWNRSB-XKTJCTHUSA-N |
| Instrument Name |
Jeol JMS-DX 303 GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.307 |
| Molecular Weight |
338.447 g/mol |
| Optical Rotation |
[a]D25 = -143 (c = 1.9, CHCl3) |
| Quality |
99 |
| Reported Formula |
C22H26O3 |
| SMILES |
C1([C@]2(C[C@@]([C@@](C1=O)(C)[H])([C@@](CC2=C)(C(=O)C)C(=O)C1=CC=CC=C1)[H])[H])(C)C |
| SPLASH |
splash10-0a4i-1920000000-d19e910e37167726c4ca |
| Source of Spectrum |
ARK-2003-63-18 (DOI: 10.3998/ark.5550190.0004.307) |
| Wiley ID |
1899886 |
![(-)-(1S,4S,5S,6S)-6-Acetyl-6-benzoyl-8-methylene-2,2,4-trimethylbicyclo[3.3.1]nonan-3-one](/api/spectrum/1t8RKMgpH3R/structure.png?h=300&w=458 "(-)-(1S,4S,5S,6S)-6-Acetyl-6-benzoyl-8-methylene-2,2,4-trimethylbicyclo[3.3.1]nonan-3-one")
