Spektraris NMR
pinicolic acid C
Common Name: pinicolic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,21-23H,3,8,10-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22+,23-,28+,29-,30+/m1/s1
InChIKey: InChIKey=ZOQINMSKLIQAKX-XMWXQHOCSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 31.48 |
| 2 (CH2) | 29.34 |
| 3 (C) | 181.38 |
| 4 (C) | 147.46 |
| 5 (CH) | 47.25 |
| 6 (CH2) | 24 |
| 7 (CH2) | 26.62 |
| 8 (C) | 138.98 |
| 9 (C) | 129.44 |
| 10 (C) | 40.33 |
| 11 (CH2) | 21.67 |
| 12 (CH2) | 28.49 |
| 13 (C) | 44.1 |
| 14 (C) | 50.32 |
| 15 (CH2) | 30.62 |
| 16 (CH2) | 25.99 |
| 17 (CH) | 47.47 |
| 18 (CH3) | 15.97 |
| 19 (CH3) | 22.44 |
| 20 (CH) | 47.07 |
| 21 (C) | 184.04 |
| 22 (CH2) | 32.15 |
| 23 (CH2) | 25.92 |
| 24 (CH) | 123.58 |
| 25 (C) | 132.32 |
| 26 (CH3) | 17.68 |
| 27 (CH3) | 25.7 |
| 28 (CH2) | 113.7 |
| 29 (CH3) | 22.83 |
| 30 (CH3) | 25.4 |
