Spektraris NMR
Fomefficinic Acid B
Common Name: Fomefficinic Acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1
InChIKey: InChIKey=DGVHJZPQGFRVEC-ULCNFEHNSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: C5D5N
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) | 30.7 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 75.2 |
| 4 (C) | 37.9 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 31.9 |
| 7 (CH) | 122.3 |
| 8 (C) | 142 |
| 9 (C) | 147.3 |
| 10 (C) | 38 |
| 11 (CH) | 115.9 |
| 12 (CH2) | 26.8 |
| 13 (C) | 48.9 |
| 14 (C) | 52.6 |
| 15 (CH) | 73.8 |
| 16 (CH2) | 39.6 |
| 17 (CH) | 45 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 46.4 |
| 21 (C) | 178.6 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 32.7 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 23.2 |
| 30 (CH3) | 18.3 |
| 24a (CH2) | 107.1 |
