Spektraris NMR
belleric acid
Common Name: belleric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(15-31)9-11-29(24(36)37)12-10-27(3)18(19(29)13-25)5-6-21-26(2)14-20(34)23(35)30(16-32,17-33)22(26)7-8-28(21,27)4/h5,19-23,31-35H,6-17H2,1-4H3,(H,36,37)/t19-,20+,21+,22+,23-,25+,26+,27+,28+,29-/m0/s1
InChIKey: InChIKey=LVWOWPFTJXUYQW-RTSNUCQHSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nandy A. K., Podder G., Sahu N. P., Mahato S. B. Phytochemistry (1989) 28, 2769
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) | 47.9 |
| 2 (CH) | 69 |
| 3 (CH) | 80 |
| 4 (C) | 47.7 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40 |
| 9 (CH) | 48.9 |
| 10 (C) | 38.3 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 122.4 |
| 13 (C) | 144.9 |
| 14 (C) | 42.4 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 23.9 |
| 17 (C) | 46.7 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 46.7 |
| 20 (C) | 31 |
| 21 (CH2) | 34.4 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 64.1 |
| 24 (CH2) | 63.8 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180 |
| 29 (CH2) | 33.5 |
| 30 (CH3) | 23.9 |
