Spektraris NMR
Peltastine A
Common Name: Peltastine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O2/c1-28-20-23-38(5)26-27-40(7)31(36(38)29(28)2)18-19-33-39(6)24-22-34(37(3,4)32(39)21-25-41(33,40)8)43-35(42)17-13-12-16-30-14-10-9-11-15-30/h9-18,28-29,32-34,36H,19-27H2,1-8H3/b16-12+,17-13+/t28-,29+,32+,33-,34+,36+,38-,39+,40-,41-/m1/s1
InChIKey: InChIKey=MVYVVIFPLFNMPO-SEOVMEIYSA-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 : Ursanes; 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) | 38.6 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81 |
| 4 (C) | 38.1 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 124.4 |
| 13 (C) | 139.3 |
| 14 (C) | 42.2 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 26.8 |
| 17 (C) | 33.9 |
| 18 (CH) | 59.2 |
| 19 (CH) | 39.8 |
| 20 (CH) | 39.8 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 41.7 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17 |
| 27 (CH3) | 23.4 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 21.6 |
| 3a (C) | 167 |
| 3b (CH) | 122.2 |
| 3c (CH) | 144.3 |
| 3d (CH) | 126.5 |
| 3e (CH) | 140.5 |
| 3f (C) | 136.3 |
| 3g (CH) | 129 |
| 3h (CH) | 127.3 |
| 3i (CH) | 129.1 |
| 3j (CH) | 127.3 |
| 3k (CH) | 129 |
