Spektraris NMR
Rhodomollein XVII
Common Name: Rhodomollein XVII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O5/c1-16(2)14(21)7-13-18(4,24)12-6-5-11-8-19(12,10-17(11,3)23)9-15(22)20(13,16)25/h11-15,21-25H,5-10H2,1-4H3/t11-,12+,13-,14+,15-,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=YNIUAILTDFXIBZ-ZPBRPVFWSA-N
Formula: C20H34O5
Molecular Weight: 354.481728
Exact Mass: 354.240624
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, C.J., Wang, L.Q., Chen, S.N., Qin, G.W. J Nat Prod (2000) 63, 1214-7
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) | 65.2 |
| 2 (CH2) | 36.6 |
| 3 (CH) | 82.6 |
| 4 (C) | 50.7 |
| 5 (C) | 86.2 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 50.1 |
| 8 (C) | 46.5 |
| 9 (CH) | 59.8 |
| 10 (C) | 77.6 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 49.5 |
| 14 (CH2) | 37.9 |
| 15 (CH2) | 60.6 |
| 16 (C) | 78.2 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 23.6 |
