Spektraris NMR
Methylisofoveolate B
Common Name: Methylisofoveolate B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O5/c1-26(2,33)22-13-18-30(7)23(28(22,5)16-15-25(32)35-9)11-10-20-21(12-17-29(20,30)6)31(8)19-14-24(36-31)27(3,4)34/h20-24,33-34H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=KMTSRTXGLOZVER-NWZPQFJUSA-N
Formula: C31H54O5
Molecular Weight: 506.758638
Exact Mass: 506.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pointinger, S., Promdang, S., Vajrodaya, S., Pannell, C.M., Hofer, O., Mereiter, K., Greger, H. Phytochemistry (2008) 69, 2696-703
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 34.6 |
| 2 (CH2) | 28.9 |
| 3 (C) | 175.6 |
| 4 (C) | 75.8 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 22.6 |
| 7 (CH2) | 34.6 |
| 8 (C) | 40 |
| 9 (CH) | 42.4 |
| 10 (C) | 41.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 43.1 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 20.5 |
| 20 (C) | 86.3 |
| 21 (CH3) | 23.4 |
| 22 (CH2) | 35.9 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 83.3 |
| 25 (C) | 71.4 |
| 26 (CH3) | 27.4 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 34.1 |
| 29 (CH3) | 27.4 |
| 30 (CH3) | 15.3 |
| 3a (CH3) | 51.6 |
