Spektraris NMR
(1Z)-1-[(5R,8S,8αR)-5-(Acetyloxy)-3,5,6,7,8,8α-hexahydro-8,8α-dimethyl-3-oxonaphthalen-2(1H)-ylidene]ethyl Acetate
![(1Z)-1-[(5R,8S,8αR)-5-(Acetyloxy)-3,5,6,7,8,8α-hexahydro-8,8α-dimethyl-3-oxonaphthalen-2(1H)-ylidene]ethyl Acetate](/nmr/static/nmr/svg/18622.svg)
Common Name: (1Z)-1-[(5R,8S,8αR)-5-(Acetyloxy)-3,5,6,7,8,8α-hexahydro-8,8α-dimethyl-3-oxonaphthalen-2(1H)-ylidene]ethyl Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O5/c1-10-6-7-17(23-13(4)20)15-8-16(21)14(9-18(10,15)5)11(2)22-12(3)19/h8,10,17H,6-7,9H2,1-5H3/b14-11-/t10-,17+,18+/m0/s1
InChIKey: InChIKey=GLXACVJKRDOFNX-KCTKBUMKSA-N
Formula: C18H24O5
Molecular Weight: 320.380849
Exact Mass: 320.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, P.L., Jia, Z.J. Helv Chim Acta (2008) 91, 1717-27
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 73.7 |
| 2 (CH2) | 31.1 |
| 3 (CH2) | 25.5 |
| 4 (CH) | 42.1 |
| 5 (C) | 40.2 |
| 6 (CH2) | 39.6 |
| 7 (C) | 121.6 |
| 8 (C) | 190 |
| 9 (CH) | 131.1 |
| 10 (C) | 155.4 |
| 11 (C) | 161.4 |
| 12 (CH3) | 19 |
| 14 (CH3) | 18.6 |
| 15 (CH3) | 15.6 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.5 |
| 11a (C) | 171.1 |
| 11b (CH3) | 21 |
