Spektraris NMR
Rhodomolins A
Common Name: Rhodomolins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O6/c1-10-11-6-7-12-16(23)20(11,9-19(12,4)25)8-13(22)21(26)14(10)15(27-5)17(24)18(21,2)3/h11-17,22-26H,1,6-9H2,2-5H3/t11-,12+,13+,14+,15-,16+,17-,19+,20-,21+/m0/s1
InChIKey: InChIKey=LVTNTYUMDOSYCN-UNXWYAAGSA-N
Formula: C21H34O6
Molecular Weight: 382.491869
Exact Mass: 382.235539
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhong, G., Hu, M., Wei, X., Weng, Q., Xie, J., Liu, J., Wang, W. J Nat Prod (2005) 68, 924-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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 (CH) | 52.8 |
| 2 (CH) | 94.8 |
| 3 (CH) | 85.3 |
| 4 (C) | 49.2 |
| 5 (C) | 84 |
| 6 (CH) | 69.8 |
| 7 (CH2) | 41.4 |
| 8 (C) | 50.4 |
| 9 (CH) | 54.1 |
| 10 (C) | 150.8 |
| 11 (CH2) | 24.8 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 54.1 |
| 14 (CH) | 81.3 |
| 15 (CH2) | 61 |
| 16 (C) | 82.7 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 24.5 |
| 19 (CH3) | 18.6 |
| 20 (CH2) | 113.1 |
| 2a (CH3) | 58.1 |
