Spektraris NMR
arjunic acid
Common Name: arjunic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)12-14-30(24(34)35)15-13-28(6)17(21(30)23(25)33)8-9-20-27(5)16-18(31)22(32)26(3,4)19(27)10-11-29(20,28)7/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=XJMYUPJDAFKICJ-YZTGESMESA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delgado M. C. C., Da Silva M. S., Fo R. B. Phytochemistry (1984) 23, 2289
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 47.1 |
| 2 (CH) | 67.2 |
| 3 (CH) | 82.2 |
| 4 (C) | 38.8 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 16.9 |
| 7 (CH2) | 32.4 |
| 8 (C) | 38.9 |
| 9 (CH) | 47.2 |
| 10 (C) | 38.5 |
| 11 (CH2) | 23 |
| 12 (CH) | 122.6 |
| 13 (C) | 143.4 |
| 14 (C) | 41.9 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 24 |
| 17 (C) | 46.6 |
| 18 (CH) | 43.1 |
| 19 (CH) | 80 |
| 20 (C) | 36.9 |
| 21 (CH2) | 28.4 |
| 22 (CH2) | 34.8 |
| 23 (CH3) | 27.1 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 28.7 |
| 28 (C) | 179 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 24.4 |
