Spektraris NMR
Rhodomollein XV
Common Name: Rhodomollein XV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-16(2)13(21)7-12-18(4,24)11-6-5-10-15(11)19(25,9-17(10,3)23)8-14(22)20(12,16)26/h10-12,14-15,22-26H,5-9H2,1-4H3/t10-,11-,12+,14-,15-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=YXUJMWMLIBHOHJ-YDCYHJRDSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
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 : Kalmanes; 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) | 46 |
| 2 (CH2) | 39.2 |
| 3 (C) | 221.8 |
| 4 (C) | 58.4 |
| 5 (C) | 83.9 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 44 |
| 8 (C) | 83 |
| 9 (CH) | 53.1 |
| 10 (C) | 76.1 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 60.8 |
| 14 (CH) | 54.8 |
| 15 (CH2) | 53.6 |
| 16 (C) | 80.2 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 24.7 |
| 19 (CH3) | 19.2 |
| 20 (CH3) | 24.1 |
