Spektraris NMR
Ceanothetric acid
Common Name: Ceanothetric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18?,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=BAXRQVCGTADURA-YFXCEZQTSA-N
Formula: C30H44O7
Molecular Weight: 516.667305
Exact Mass: 516.308704
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Kondo, Y., Kimura, E., Arihara, S. Phytochemistry (1998) 49, 2057-60
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 67.2 |
| 2 (C) | 178 |
| 3 (CH) | 84.7 |
| 4 (C) | 43.9 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 37.9 |
| 8 (C) | 41.8 |
| 9 (CH) | 46.2 |
| 10 (C) | 50.2 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 40.7 |
| 14 (C) | 60.5 |
| 15 (CH2) | 29 |
| 16 (CH2) | 35.6 |
| 17 (C) | 56.8 |
| 18 (CH) | 52.4 |
| 19 (CH) | 48 |
| 20 (C) | 151 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 31.6 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 18.3 |
| 27 (C) | 178.5 |
| 28 (C) | 179.3 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.6 |
