Spektraris NMR
Rhodomollein IX
Common Name: Rhodomollein IX
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14-,15+,16-,18-,19+,20+/m0/s1
InChIKey: InChIKey=HZWINBBXACEGLP-DUWZETPESA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Zhang, H.P., Wang, L.Q., Bao, G.H., Qin, G.W. J Nat Prod (2004) 67, 1903-6
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) | 58.1 |
| 2 (CH) | 81.2 |
| 3 (CH) | 87.1 |
| 4 (C) | 49.2 |
| 5 (C) | 83.5 |
| 6 (CH) | 72.3 |
| 7 (CH2) | 43.6 |
| 8 (C) | 50.8 |
| 9 (CH) | 54.4 |
| 10 (C) | 78.3 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 33.3 |
| 13 (CH) | 55.1 |
| 14 (CH) | 77 |
| 15 (CH2) | 49.9 |
| 16 (C) | 156.8 |
| 17 (CH2) | 103.4 |
| 18 (CH3) | 26.2 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 29.5 |
