Spektraris NMR
pinicolic acid B
Common Name: pinicolic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,23,25H,8,10-17H2,1-7H3,(H,33,34)/t19-,23+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=RWQINIOQZXZDGZ-JLPRQSABSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: C5D5N
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) | 35.49 |
| 2 (CH2) | 34.26 |
| 3 (C) | 215.6 |
| 4 (C) | 47 |
| 5 (CH) | 50.78 |
| 6 (CH2) | 19.12 |
| 7 (CH2) | 26.56 |
| 8 (C) | 132.46 |
| 9 (C) | 134.51 |
| 10 (C) | 36.83 |
| 11 (CH2) | 20.05 |
| 12 (CH2) | 28.67 |
| 13 (C) | 43.47 |
| 14 (C) | 44.11 |
| 15 (CH2) | 46.35 |
| 16 (C) | 217.37 |
| 17 (CH) | 57.46 |
| 18 (CH3) | 16.86 |
| 19 (CH3) | 18.15 |
| 20 (CH) | 44.85 |
| 21 (C) | 176.85 |
| 22 (CH2) | 31.57 |
| 23 (CH2) | 26.44 |
| 24 (CH) | 124.5 |
| 25 (C) | 131.42 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 25.47 |
| 28 (CH3) | 20.99 |
| 29 (CH3) | 25.96 |
| 30 (CH3) | 24.59 |
