Spektraris NMR
Peltastine B
Common Name: Peltastine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O2/c1-28(2)30-20-23-38(5)26-27-40(7)31(36(30)38)18-19-33-39(6)24-22-34(37(3,4)32(39)21-25-41(33,40)8)43-35(42)17-13-12-16-29-14-10-9-11-15-29/h9-17,30-34,36H,1,18-27H2,2-8H3/b16-12+,17-13+/t30-,31+,32-,33+,34?,36+,38+,39-,40+,41+/m0/s1
InChIKey: InChIKey=ITJYGCRZIKEXKW-QAMNBERCSA-N
Formula: C41H58O2
Molecular Weight: 582.899545
Exact Mass: 582.443681
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Humberto, M.M., Nascimento, M.C., Sant'Ana, A.E. Phytochem Anal (2004) 15, 339-44
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.4 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.8 |
| 4 (C) | 38 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 40 |
| 9 (CH) | 50.3 |
| 10 (C) | 37 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 25 |
| 13 (CH) | 38 |
| 14 (C) | 43 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 42.8 |
| 18 (CH) | 48.2 |
| 19 (CH) | 47.9 |
| 20 (C) | 150.9 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 17.9 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
| 3b (C) | 167 |
| 3c (CH) | 122.2 |
| 3d (CH) | 144.3 |
| 3e (CH) | 126.5 |
| 3f (CH) | 140.5 |
| 3g (C) | 136.3 |
| 3h (CH) | 129 |
| 3i (CH) | 127.3 |
| 3j (CH) | 129.1 |
| 3k (CH) | 127.3 |
| 3l (CH) | 129 |
