| SpectraBase Spectrum ID |
4vRCtzUcvZ9 |
| Name |
(-)-(5S,6R,9S)-2-Acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]non-1-en-3-one |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-8(2)11-6-5-9(3)14-13(10(4)16)12(17)7-15(11,14)18/h8-9,11,18H,5-7H2,1-4H3/t9-,11+,15-/m0/s1 |
| InChIKey |
ZXOVBVILSUHNJX-ISOBSLSZSA-N |
| Instrument Name |
Micromass Autospec-Ultima ETOF |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np060076u |
| Molecular Weight |
250.338 g/mol |
| Optical Rotation |
[a]D20 = -80 (c = 0.10, MeOH) |
| Reported Formula |
C15H22O3 |
| SMILES |
O[C@@]12C([C@](CC[C@@]2(C(C)C)[H])(C)[H])=C(C(C1)=O)C(C)=O |
| SPLASH |
splash10-0006-9710000000-e087d14e43829239f8f2 |
| Source of Spectrum |
G4-69-SM19-5 |
| Wiley ID |
1874303 |
![(-)-(5S,6R,9S)-2-Acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]non-1-en-3-one](/api/spectrum/4vRCtzUcvZ9/structure.png?h=300&w=458 "(-)-(5S,6R,9S)-2-Acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]non-1-en-3-one")
