Spektraris NMR
Fomefficinic Acid E
Common Name: Fomefficinic Acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33-/m1/s1
InChIKey: InChIKey=FVOOCQKPVCFFSH-VPDRPMEHSA-N
Formula: C33H48O5
Molecular Weight: 524.732465
Exact Mass: 524.350175
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) | 36.7 |
| 2 (CH2) | 34.2 |
| 3 (C) | 216.4 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 121.5 |
| 8 (C) | 142.1 |
| 9 (C) | 147.6 |
| 10 (C) | 37.3 |
| 11 (CH) | 116.6 |
| 12 (CH2) | 35.3 |
| 13 (C) | 45.6 |
| 14 (C) | 51.6 |
| 15 (CH) | 77.6 |
| 16 (CH2) | 36.4 |
| 17 (CH) | 46.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 18.4 |
| 20 (CH) | 47.7 |
| 21 (C) | 178.5 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 33.7 |
| 24 (C) | 154.8 |
| 25 (CH) | 34.5 |
| 26 (CH3) | 21.3 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 19.8 |
| 15a (C) | 170.8 |
| 15b (CH3) | 21.3 |
| 24a (CH2) | 107.3 |
