Spektraris NMR
Pomolic acid
Common Name: Pomolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=ZZTYPLSBNNGEIS-OPAXANQDSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takahashi H., Hirata S., Minami H., Fukuyama Y. Phytochemistry (2001) 56, 875-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.7 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.3 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.3 |
| 11 (CH2) | 24 |
| 12 (CH) | 128.1 |
| 13 (C) | 139.9 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 26.6 |
| 17 (C) | 48.2 |
| 18 (CH) | 54.5 |
| 19 (C) | 72.7 |
| 20 (CH) | 42.3 |
| 21 (CH2) | 27 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 15.5 |
| 24 (CH3) | 28.7 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 24.6 |
| 28 (C) | 180.6 |
| 29 (CH3) | 26.8 |
| 30 (CH3) | 16.4 |
