Spektraris NMR
Salasones B
Common Name: Salasones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-14-11-20-26(4,24(33)22(14)31)13-21(30)28(6)19-8-7-16-15(2)23(32)18(29)12-17(16)25(19,3)9-10-27(20,28)5/h8,12,14,20,24,29,32-33H,7,9-11,13H2,1-6H3/t14-,20-,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=OBZDCHOMDAAKTD-WYVBECSISA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kishi, A., Morikawa, T., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2003) 51, 1051-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 107.7 |
| 2 (C) | 141.6 |
| 3 (C) | 139.5 |
| 4 (C) | 120.9 |
| 5 (C) | 125.7 |
| 6 (CH2) | 27.8 |
| 7 (CH) | 126 |
| 8 (C) | 139 |
| 9 (C) | 36.2 |
| 10 (C) | 140 |
| 11 (CH2) | 33 |
| 12 (CH2) | 29.4 |
| 13 (C) | 43.5 |
| 14 (C) | 58 |
| 15 (C) | 211.4 |
| 16 (CH2) | 47.5 |
| 17 (C) | 49.4 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 30.7 |
| 20 (CH) | 40 |
| 21 (C) | 212.4 |
| 22 (CH) | 77.8 |
| 23 (CH3) | 11.6 |
| 25 (CH3) | 33.4 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 21.4 |
| 28 (CH3) | 24.6 |
| 30 (CH3) | 14.8 |
