Spektraris NMR
Punicanolic Acid
Common Name: Punicanolic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=WJCIWKNYROGCFD-FKYBFWJDSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xie, Y., Morikawa, T., Ninomiya, K., Imura, K., Muraoka, O., Yuan, D., Yoshikawa, M. Chem Pharm Bull (2008) 56, 1628-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 39.5 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.2 |
| 8 (C) | 41.7 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 22 |
| 12 (CH2) | 30 |
| 13 (CH) | 41 |
| 14 (C) | 43.1 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 36.1 |
| 17 (C) | 51.4 |
| 18 (CH) | 47.9 |
| 19 (CH) | 40 |
| 20 (C) | 72.5 |
| 21 (CH2) | 37.5 |
| 22 (CH2) | 33.9 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 15.3 |
| 28 (C) | 179.3 |
| 29 (CH3) | 19 |
| 30 (CH3) | 30.9 |
