Spektraris NMR
Bruceantin
Common Name: Bruceantin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
InChIKey: InChIKey=IRQXZTBHNKVIRL-GOTQHHPNSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hamburger, M., Cordell, G. Planta Med (1988) 0, 352
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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) | 48.7 |
| 2 (C) | 192.72 |
| 3 (C) | 144.19 |
| 4 (C) | 128.29 |
| 5 (CH) | 41.08 |
| 6 (CH2) | 28.65 |
| 7 (CH) | 82.62 |
| 8 (C) | 44.71 |
| 9 (CH) | 39.96 |
| 10 (C) | 40.57 |
| 11 (CH) | 71.42 |
| 12 (CH) | 74.5 |
| 13 (C) | 81.17 |
| 14 (CH) | 48.7 |
| 15 (CH) | 67.5 |
| 16 (C) | 166.81 |
| 17 (CH2) | 72.28 |
| 18 (C) | 169.91 |
| 19 (CH3) | 15.05 |
| 28 (CH3) | 13.22 |
| 15a (C) | 166.13 |
| 15b (CH) | 112.46 |
| 15c (C) | 164.18 |
| 15d (CH) | 37.33 |
| 15e (CH3) | 20.1 |
| 15ca (CH3) | 16.16 |
| 15da (CH3) | 20.1 |
| 18a (CH3) | 52.03 |
