Spektraris NMR
27-Hydroxyacetate canophyllic acid
Common Name: 27-Hydroxyacetate canophyllic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-20-22(34)8-9-23-28(20,5)11-10-24-29(23,6)13-17-32(19-37-21(2)33)25-18-27(3,4)12-15-31(25,26(35)36)16-14-30(24,32)7/h20,22-25,34H,8-19H2,1-7H3,(H,35,36)/t20-,22-,23+,24-,25+,28+,29-,30+,31-,32+/m0/s1
InChIKey: InChIKey=MODUXVDQCFZVFE-MUWZPMAPSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Laure, F., Herbette, G., Faure, R., Bianchini, J.P., Raharivelomanana, P., Fogliani, B. Magn Reson Chem (2005) 43, 65-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 17.11 |
| 2 (CH2) | 36.2 |
| 3 (CH) | 73.1 |
| 4 (CH) | 50.77 |
| 5 (C) | 39.03 |
| 6 (CH2) | 42.87 |
| 7 (CH2) | 18.77 |
| 8 (CH) | 54.73 |
| 9 (C) | 38.48 |
| 10 (CH) | 62.71 |
| 11 (CH2) | 37.53 |
| 12 (CH2) | 26.18 |
| 13 (C) | 39.36 |
| 14 (C) | 43.83 |
| 15 (CH2) | 32.71 |
| 16 (CH2) | 37.13 |
| 17 (C) | 45.85 |
| 18 (CH) | 39.52 |
| 19 (CH2) | 36.79 |
| 20 (C) | 29.25 |
| 21 (CH2) | 33.59 |
| 22 (CH2) | 30.73 |
| 23 (CH3) | 12.15 |
| 24 (CH3) | 16.92 |
| 25 (CH3) | 18.49 |
| 26 (CH3) | 21.98 |
| 27 (CH2) | 66.33 |
| 28 (C) | 182.18 |
| 29 (CH3) | 29.94 |
| 30 (CH3) | 35 |
| 27a (C) | 173.08 |
| 27b (CH3) | 21.22 |
