Spektraris NMR
Aceriphyllic acid A
Common Name: Aceriphyllic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)13-14-26(3)15-16-30(24(33)34)19(20(26)17-25)7-8-22-27(4)11-10-23(32)28(5,18-31)21(27)9-12-29(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23+,26+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=HQGWITLOHQUPBL-RGIWJZQASA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
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) | 25.38 |
| 3 (CH) | 77.82 |
| 4 (C) | 39.82 |
| 5 (CH) | 47.57 |
| 6 (CH2) | 17.43 |
| 7 (CH2) | 32.71 |
| 8 (C) | 35.9 |
| 9 (CH) | 49.49 |
| 10 (C) | 38.58 |
| 11 (CH2) | 22.96 |
| 12 (CH) | 123.07 |
| 13 (C) | 140.49 |
| 14 (C) | 58.1 |
| 15 (CH2) | 22.89 |
| 16 (CH2) | 28.08 |
| 17 (C) | 31.09 |
| 18 (CH) | 41.49 |
| 19 (CH2) | 42.11 |
| 20 (C) | 33.66 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 36.72 |
| 23 (CH2) | 68.75 |
| 24 (CH3) | 17.43 |
| 25 (CH3) | 16.29 |
| 26 (CH3) | 19.45 |
| 27 (C) | 184.23 |
| 28 (CH3) | 28.29 |
| 29 (CH3) | 33.42 |
| 30 (CH3) | 23.39 |
