Spektraris NMR
retro-Carotenoid
Common Name: retro-Carotenoid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-25,34-35,41-43H,26-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,36-23-,37-24+/t34-,35+,40-/m1/s1
InChIKey: InChIKey=GVOORTVDJMSUHI-NNGSYPNRSA-N
Formula: C40H56O3
Molecular Weight: 584.872333
Exact Mass: 584.422946
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maoka, T., Fujiwara, Y., Hashimoto, K., Takeda, S., Takaragaki, S., Ida, K. J Nat Prod (2000) 63, 1288-9
Species:
Notes: Family : Terpenoids, Type : Tetraterpenoids, Group : Carotenoids; 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) | 37 |
| 2 (CH2) | 49.8 |
| 3 (CH) | 64.1 |
| 4 (CH2) | 47.8 |
| 5 (C) | 75 |
| 6 (C) | 151.2 |
| 7 (CH) | 120.3 |
| 8 (CH) | 129.5 |
| 9 (C) | 137 |
| 10 (CH) | 138.6 |
| 11 (CH) | 125 |
| 12 (CH) | 132.6 |
| 13 (C) | 136.1 |
| 14 (CH) | 137.4 |
| 15 (CH) | 129.2 |
| 16 (CH3) | 32.9 |
| 17 (CH3) | 30.5 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 12.8 |
| 20 (CH3) | 12.2 |
| 1' (C) | 35.6 |
| 2' (CH2) | 50.4 |
| 3' (CH) | 65.6 |
| 4' (CH) | 131.6 |
| 5' (C) | 134.8 |
| 6' (C) | 144.1 |
| 7' (CH) | 121.9 |
| 8' (CH) | 131.6 |
| 9' (C) | 136.1 |
| 10' (CH) | 138.6 |
| 11' (CH) | 125 |
| 12' (CH) | 132.6 |
| 13' (C) | 135.4 |
| 14' (CH) | 137.4 |
| 15' (CH) | 129.2 |
| 16' (CH3) | 27.3 |
| 17' (CH3) | 31.7 |
| 18' (CH3) | 21.4 |
| 19' (CH3) | 12.8 |
| 20' (CH3) | 12.2 |
