Spektraris NMR
Wilsonianadilactones B
Common Name: Wilsonianadilactones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-11-16-18-22(26(5,35)23(34)36-18)39-29-19(16)25(4,20(11)32)6-7-27(40-29)10-28-13(8-12(30)17(27)21(29)33)24(2,3)37-14(28)9-15(31)38-28/h11-14,16-19,22,30,35H,6-10H2,1-5H3/t11-,12+,13-,14+,16+,17-,18+,19-,22-,25-,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=RBGYXAFWYMVSEF-HGVRVOHXSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, G.Y., Xiao, W.L., Chang, Y., Wang, R.R., Pu, J.X., Gao, X.M., Lei, C., Lu, Y., Zheng, Y.T., Sun, H.D. Helv Chim Acta (2008) 91, 1871-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 80.3 |
| 2 (CH2) | 35.8 |
| 3 (C) | 174.6 |
| 4 (C) | 84.3 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 31.5 |
| 7 (CH) | 63 |
| 8 (CH) | 56.2 |
| 9 (C) | 80.6 |
| 10 (C) | 97 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 33.8 |
| 13 (C) | 49.9 |
| 14 (C) | 208.6 |
| 15 (C) | 99.1 |
| 16 (CH) | 44.5 |
| 17 (C) | 220 |
| 18 (CH3) | 27.8 |
| 19 (CH2) | 44.5 |
| 20 (CH) | 40 |
| 21 (CH3) | 15.1 |
| 22 (CH) | 44 |
| 23 (CH) | 74.7 |
| 24 (CH) | 73.2 |
| 25 (C) | 76.6 |
| 26 (C) | 177.2 |
| 27 (CH3) | 18 |
| 28 (CH3) | 21 |
| 29 (CH3) | 27.8 |
