Spektraris NMR
Wilsonianadilactones A
Common Name: Wilsonianadilactones A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-8-39-21(35)12-19-17-13-32-10-9-31(7)26-22(14(2)27(31)36)25-24(15(3)29(38)41-25)43-33(26,44-32)28(37)23(32)20(40-16(4)34)11-18(17)30(5,6)42-19/h14-15,19-20,22-26H,8-13H2,1-7H3/t14-,15-,19+,20-,22+,23-,24+,25+,26-,31-,32-,33-/m0/s1
InChIKey: InChIKey=LFFSDTHWFZQTRP-CVBXLKQXSA-N
Formula: C33H42O11
Molecular Weight: 614.68125
Exact Mass: 614.272712
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) | 83 |
| 2 (CH2) | 41.8 |
| 3 (C) | 171.4 |
| 4 (C) | 89 |
| 5 (C) | 135.5 |
| 6 (CH2) | 30.5 |
| 7 (CH) | 69.1 |
| 8 (CH) | 55.1 |
| 9 (C) | 85.2 |
| 10 (C) | 128.7 |
| 11 (CH2) | 41.8 |
| 12 (CH2) | 30.5 |
| 13 (C) | 49.7 |
| 14 (C) | 210 |
| 15 (C) | 99.7 |
| 16 (CH) | 45.1 |
| 17 (C) | 220 |
| 18 (CH3) | 26.7 |
| 19 (CH2) | 34.2 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.4 |
| 22 (CH) | 40.2 |
| 23 (CH) | 74.9 |
| 24 (CH) | 69.1 |
| 25 (CH) | 42.8 |
| 26 (C) | 177.6 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 26.3 |
| 3a (CH2) | 60.6 |
| 3b (CH3) | 14.6 |
| 7a (C) | 169.7 |
| 7b (CH3) | 20.9 |
