Spektraris NMR
(9S*,10R*)-9,10,11-Trihydroxyumbcllipr@nin
Common Name: (9S*,10R*)-9,10,11-Trihydroxyumbcllipr@nin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-16(6-5-7-17(2)14-20(25)23(27)24(3,4)28)12-13-29-19-10-8-18-9-11-22(26)30-21(18)15-19/h7-12,15,20,23,25,27-28H,5-6,13-14H2,1-4H3/b16-12+,17-7+/t20-,23-/m0/s1
InChIKey: InChIKey=PWGFIVDGCMQGCD-CXWZKDDFSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
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) | 65.3 |
| 2 (CH) | 118.7 |
| 3 (C) | 141.6 |
| 4 (CH2) | 39 |
| 5 (CH2) | 25.9 |
| 6 (CH) | 128.6 |
| 7 (C) | 131.7 |
| 8 (CH2) | 44.4 |
| 9 (CH) | 68.3 |
| 10 (CH) | 76.1 |
| 11 (C) | 73.7 |
| 12 (CH3) | 26.2 |
| 13 (CH3) | 26.7 |
| 14 (CH3) | 16 |
| 15 (CH3) | 16.5 |
| 2' (C) | 162 |
| 3' (CH) | 112.7 |
| 4' (CH) | 143.5 |
| 5' (CH) | 128.7 |
| 6' (CH) | 113.2 |
| 7' (C) | 161.3 |
| 8' (CH) | 101.4 |
| 9' (C) | 155.6 |
| 10' (C) | 112.3 |
| 1 (CH) | 107.1 |
| 2 (C) | 153.4 |
| 3 (C) | 109 |
| 4 (C) | 157.7 |
| 5 (CH) | 102.5 |
| 6 (C) | 146.6 |
| 7 (C) | 50.5 |
| 8 (CH2) | 36.7 |
| 9 (CH2) | 19.5 |
| 10 (CH2) | 38.7 |
| 11 (C) | 44.1 |
| 12 (CH3) | 26.5 |
| 13 (CH3) | 24.2 |
| 14 (CH3) | 24.4 |
| 15 (CH3) | 7.7 |
| 4a (CH3) | 55.6 |
