Spektraris NMR
Xyloccensin k
Common Name: Xyloccensin k
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O8/c1-23(2)17(10-18(28)32-5)25(4)16-6-8-24(3)21(14-7-9-33-13-14)34-19(29)12-27(24,31)26(16)11-15(20(25)30)22(23)35-26/h7,9,13,15-17,21-22,31H,6,8,10-12H2,1-5H3/t15?,16-,17+,21+,22-,24+,25-,26+,27+/m1/s1
InChIKey: InChIKey=OQQDWKJSAQRSAX-JLQLNZTBSA-N
Formula: C27H34O8
Molecular Weight: 486.555094
Exact Mass: 486.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ambrozin, A.R.P., Leite, A.C., Bueno, F.C., Vieira, P.C., Fernandes, J.B., Bueno, O.C., da Silva, M., Pagnocca, F.C., Hebling, M.J.A., Bacci, M. J. Braz. Chem. Soc. (2006) 17, 542-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 214.9 |
| 2 (CH) | 49 |
| 3 (CH) | 91.4 |
| 4 (C) | 37.2 |
| 5 (CH) | 43 |
| 6 (CH2) | 32.6 |
| 7 (C) | 174.4 |
| 8 (C) | 85.2 |
| 9 (CH) | 52.2 |
| 10 (C) | 51.1 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 28.8 |
| 13 (C) | 40 |
| 14 (C) | 74.7 |
| 15 (CH2) | 37.3 |
| 16 (C) | 169.9 |
| 17 (CH) | 76.5 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 16.9 |
| 20 (C) | 120.1 |
| 21 (CH) | 143 |
| 22 (CH) | 110 |
| 23 (CH) | 140.9 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 20.2 |
| 30 (CH2) | 42.5 |
| 7a (CH3) | 52 |
