Spektraris NMR
61597-55-5
Common Name: 61597-55-5
Synonyms: 61597-55-5
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h8,11,13,16-18,21H,1,5-7,9-10,12H2,2-4H3/t16-,17+,18-,20+/m0/s1
InChIKey: InChIKey=HJODEDKXJPYIBN-HLNWXESRSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Villamizar, J., Fuentes, J., Salazar, F., Tropper, E., Alonso, R. J Nat Prod (2003) 66, 1623-7
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) | 38.62 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.85 |
| 4 (C) | 33.4 |
| 5 (CH) | 55.16 |
| 6 (CH2) | 24.19 |
| 7 (CH2) | 38.08 |
| 8 (C) | 148.71 |
| 9 (CH) | 52.7 |
| 10 (C) | 39.35 |
| 11 (CH2) | 31.73 |
| 12 (CH) | 65.76 |
| 13 (C) | 128.63 |
| 14 (CH) | 106.55 |
| 15 (CH) | 139.58 |
| 16 (CH) | 143.28 |
| 17 (CH2) | 108.16 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.59 |
| 20 (CH3) | 14.5 |
