Spektraris NMR
Fomefficinic Acid A
Common Name: Fomefficinic Acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,29-,30-,31+/m1/s1
InChIKey: InChIKey=KBZOWVQYHZLSSX-DIQRFASRSA-N
Formula: C31H48O3
Molecular Weight: 468.712184
Exact Mass: 468.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, X., Yang, J., Zhou, L., Dong, Y. Chem Pharm Bull (2004) 52, 1375-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.1 |
| 2 (CH2) | 34.5 |
| 3 (C) | 217.6 |
| 4 (C) | 47.1 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 26.3 |
| 8 (C) | 135 |
| 9 (C) | 133.1 |
| 10 (C) | 36.9 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 30.4 |
| 13 (C) | 44.2 |
| 14 (C) | 49.6 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 27 |
| 17 (CH) | 51.2 |
| 18 (CH3) | 16 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 47.6 |
| 21 (C) | 181.8 |
| 22 (CH2) | 30.9 |
| 23 (CH2) | 31.9 |
| 24 (C) | 155.1 |
| 25 (CH) | 33.7 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 21.7 |
| 28 (CH3) | 26.1 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 24.3 |
| 24a (CH2) | 106.8 |
