Spektraris NMR
Lobatriene
Common Name: Lobatriene
Synonyms: Lobatriene
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-7-20(6)11-10-15(12-17(20)14(2)3)16-8-9-18(22-13-16)19(4,5)21/h7-8,15,17-18,21H,1-2,9-13H2,3-6H3/t15-,17+,18+,20-/m0/s1
InChIKey: InChIKey=DAVHDEXYPFPIDG-MMTROXRISA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Edrada, R.A., Proksch, P., Wray, V., Witte, L., van Ofwegen, L. J Nat Prod (1998) 61, 358-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lobanes; 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 (C) | 39.8 |
| 2 (CH) | 52.7 |
| 3 (CH2) | 32.8 |
| 4 (CH) | 41.7 |
| 5 (CH2) | 24.8 |
| 6 (CH2) | 39.9 |
| 7 (CH3) | 16.6 |
| 8 (CH) | 150.1 |
| 9 (CH2) | 112.2 |
| 10 (C) | 147.5 |
| 11 (CH2) | 110 |
| 12 (CH3) | 23.7 |
| 13 (C) | 141.2 |
| 14 (CH2) | 68.1 |
| 15 (CH) | 116.4 |
| 16 (CH2) | 27 |
| 17 (CH) | 80.3 |
| 18 (C) | 71.7 |
| 19 (CH3) | 26.2 |
| 20 (CH3) | 25.3 |
