Spektraris NMR
ilexolic acid A
Common Name: ilexolic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)21(33)15-30(24(35)36)14-13-28(5)17(22(30)23(25)34)7-8-19-26(3)11-10-20(32)27(4,16-31)18(26)9-12-29(19,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21+,22-,23+,26+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=SIHZLXAGZFUJJX-FOSIBRMTSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Amimoto K., Yoshikawa K., Arihara S. Phytochemistry (1993) 33, 1475-80
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) | 39 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 73.6 |
| 4 (C) | 42.9 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.5 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.3 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 128.6 |
| 13 (C) | 140.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 27.4 |
| 17 (C) | 49.2 |
| 18 (CH) | 54.6 |
| 19 (CH) | 74.9 |
| 20 (C) | 50.6 |
| 21 (CH) | 67.6 |
| 22 (CH2) | 48 |
| 23 (CH2) | 68 |
| 24 (CH3) | 13.2 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 24.7 |
| 28 (C) | 180.4 |
| 29 (CH3) | 27.8 |
| 30 (CH3) | 11.5 |
