Spektraris NMR
(9S*,10R*)-9,10,5í-Triacetoxy-ll-hydroxyumbelliprenin
Common Name: (9S*,10R*)-9,10,5í-Triacetoxy-ll-hydroxyumbelliprenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O10/c1-18(9-8-10-19(2)15-27(38-21(4)32)29(30(6,7)35)39-22(5)33)13-14-36-23-16-25(37-20(3)31)24-11-12-28(34)40-26(24)17-23/h10-13,16-17,27,29,35H,8-9,14-15H2,1-7H3/b18-13+,19-10+/t27-,29-/m0/s1
InChIKey: InChIKey=LMJUZHBREXNVBR-RWNPHILDSA-N
Formula: C30H38O10
Molecular Weight: 558.617875
Exact Mass: 558.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Zen, H., Nano, G.M., Cisero, M. Phytochemistry (1992) 31, 4223-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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 (CH2) | 65.7 |
| 2 (CH) | 118.2 |
| 3 (C) | 142.2 |
| 4 (CH2) | 39 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 127.9 |
| 7 (C) | 130.5 |
| 8 (CH2) | 42.9 |
| 9 (CH) | 69.2 |
| 10 (CH) | 78 |
| 11 (C) | 72.2 |
| 12 (CH3) | 26.3 |
| 13 (CH3) | 26.6 |
| 14 (CH3) | 16.7 |
| 15 (CH3) | 15.9 |
| 2' (C) | 161.9 |
| 3' (CH) | 113 |
| 4' (CH) | 137.4 |
| 5' (C) | 147.7 |
| 6' (CH) | 106.7 |
| 7' (C) | 160.6 |
| 8' (CH) | 99.5 |
| 9' (C) | 156 |
| 10' (C) | 106.3 |
| 9a (C) | 170.6 |
| 9b (CH3) | 20.8 |
| 10a (C) | 170.3 |
| 10b (CH3) | 20.8 |
| 5'a (C) | 168.4 |
| 5'b (CH3) | 21.1 |
