Spektraris NMR
Walsuronoid B
Common Name: Walsuronoid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O6/c1-23(2)17(28)6-8-24(3)20-16(27)11-15-14(13-7-9-32-12-13)10-18(29)25(15,4)26(20,5)22(31)19(30)21(23)24/h6-9,12,16,18,20,27,29-30H,10-11H2,1-5H3/t16-,18+,20+,24+,25-,26-/m0/s1
InChIKey: InChIKey=XXFWAJSCCSMNPP-FTGJQZKBSA-N
Formula: C26H30O6
Molecular Weight: 438.513786
Exact Mass: 438.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yin, S., Wang, X.N., Fan, C.Q., Liao, S.G., Yue, J.M. Org Lett (2007) 9, 2353-6
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 (CH) | 151.7 |
| 2 (CH) | 126.8 |
| 3 (C) | 202.6 |
| 4 (C) | 48.1 |
| 5 (C) | 139.3 |
| 6 (C) | 141.6 |
| 7 (C) | 201.5 |
| 8 (C) | 55.3 |
| 9 (CH) | 46.2 |
| 10 (C) | 40.9 |
| 11 (CH) | 67.9 |
| 12 (CH2) | 34.1 |
| 13 (C) | 134 |
| 14 (C) | 58.4 |
| 15 (CH) | 81.2 |
| 16 (CH2) | 43.6 |
| 17 (C) | 127.6 |
| 18 (CH3) | 24.1 |
| 19 (CH3) | 29.1 |
| 20 (C) | 121.2 |
| 21 (CH) | 140.6 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 26.3 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 19.9 |
