Spektraris NMR
Polpunic acid
Common Name: Polpunic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=WHWHDGKOSUKYOV-GDXNDQEESA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prakash O. , Roy R. , Garg H. S., Bhakuni D. S. Magn Reson Chem (1987) 25, 39
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.2 |
| 2 (CH2) | 41.5 |
| 3 (C) | 213.3 |
| 4 (CH) | 58.2 |
| 5 (C) | 42.1 |
| 6 (CH2) | 41.3 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 50.7 |
| 9 (C) | 37.4 |
| 10 (CH) | 59.8 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.1 |
| 14 (C) | 39.2 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.1 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 29.5 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.5 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 6.2 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 31.8 |
| 29 (C) | 184.5 |
| 30 (CH3) | 31.6 |
