Spektraris NMR
Aceriphyllic acid A
Common Name: Aceriphyllic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23+,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=VVWRIMSHBALFKN-BWURWWRQSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, J.T., Kim, H.Y., Park, Y.D., Lee, Y.H., Lee, K.R., Kwon, B.M., Baek, N.I. J Nat Prod (2002) 68, 558-61
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) | 36.48 |
| 2 (CH2) | 26.43 |
| 3 (CH) | 75.52 |
| 4 (C) | 40.2 |
| 5 (CH) | 47.82 |
| 6 (CH2) | 18.33 |
| 7 (CH2) | 32.59 |
| 8 (C) | 40.64 |
| 9 (CH) | 46.53 |
| 10 (C) | 37.13 |
| 11 (CH2) | 23.86 |
| 12 (CH) | 122.67 |
| 13 (C) | 144.15 |
| 14 (C) | 41.95 |
| 15 (CH2) | 26.34 |
| 16 (CH2) | 27.21 |
| 17 (C) | 32.73 |
| 18 (CH) | 43.48 |
| 19 (CH2) | 41.44 |
| 20 (C) | 42.75 |
| 21 (CH2) | 29.82 |
| 22 (CH2) | 33.48 |
| 23 (CH2) | 71.2 |
| 24 (CH3) | 18.17 |
| 25 (CH3) | 17.09 |
| 26 (CH3) | 15.96 |
| 27 (CH3) | 26.04 |
| 28 (CH3) | 28.41 |
| 29 (C) | 181.17 |
| 30 (CH3) | 19.97 |
