Spektraris NMR
Latilagascenes B
Common Name: Latilagascenes B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O6/c1-17-14-21-20(27(21,2)3)12-13-28(4)26(35-28)23-24(32)19(16-30)15-29(23,25(17)33)34-22(31)11-10-18-8-6-5-7-9-18/h5-11,14,19-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,17-14+/t19-,20+,21-,23-,24+,26-,28-,29-/m1/s1
InChIKey: InChIKey=DSNVEEQAUBRQER-WWVHLSQESA-N
Formula: C29H36O6
Molecular Weight: 480.593638
Exact Mass: 480.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duarte, N., Gyemant, N., Abreu, P.M., Molnar, J., Ferreira, M.J. Planta Med (2006) 72, 162-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 39.3 |
| 2 (CH) | 45.5 |
| 3 (CH) | 76.4 |
| 4 (CH) | 51.9 |
| 5 (CH) | 58.4 |
| 6 (C) | 64.4 |
| 7 (CH2) | 38.6 |
| 8 (CH2) | 23.2 |
| 9 (CH) | 33.8 |
| 10 (C) | 26.4 |
| 11 (CH) | 29.7 |
| 12 (CH) | 144.6 |
| 13 (C) | 133.9 |
| 14 (C) | 195.1 |
| 15 (C) | 91.6 |
| 16 (CH2) | 61.2 |
| 17 (CH3) | 19.3 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 12.3 |
| 1' (C) | 165.6 |
| 2' (CH) | 117.3 |
| 3' (CH) | 146.5 |
| 4' (C) | 133.9 |
| 5' (CH) | 128.1 |
| 6' (CH) | 130.6 |
| 7' (CH) | 128.9 |
| 8' (CH) | 130.6 |
| 9' (CH) | 128.1 |
