Spektraris NMR
[(2R,2'S,4a'S,5R,5'S,8a'S)-2',5,5',8a'-Tetramethyl-4'-oxo-5-vinyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5'-yl]methyl acetate
![[(2R,2'S,4a'S,5R,5'S,8a'S)-2',5,5',8a'-Tetramethyl-4'-oxo-5-vinyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5'-yl]methyl acetate](/nmr/static/nmr/svg/7036.svg)
Common Name: [(2R,2'S,4a'S,5R,5'S,8a'S)-2',5,5',8a'-Tetramethyl-4'-oxo-5-vinyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5'-yl]methyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-7-20(5)11-12-22(26-20)15(2)13-17(24)18-19(4,14-25-16(3)23)9-8-10-21(18,22)6/h7,15,18H,1,8-14H2,2-6H3/t15-,18-,19+,20-,21-,22+/m0/s1
InChIKey: InChIKey=IQUPRCLIVNZVGQ-XEEILAJESA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Cambron, J.I., del Rio, R.E., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Joseph-Nathan, P. J Nat Prod (2000) 63, 226-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 37.7 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 35.1 |
| 4 (C) | 36.3 |
| 5 (CH) | 60.5 |
| 6 (C) | 213.3 |
| 7 (CH2) | 47.8 |
| 8 (CH) | 45.5 |
| 9 (C) | 91.9 |
| 10 (C) | 48.6 |
| 11 (CH2) | 29.7 |
| 12 (CH2) | 33.3 |
| 13 (C) | 84 |
| 14 (CH) | 144.4 |
| 15 (CH2) | 111.4 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 26.3 |
| 19 (CH2) | 65.2 |
| 20 (CH3) | 18.8 |
| 19a (C) | 176.1 |
| 19b (CH3) | 21.1 |
