Spektraris NMR
Wuweizidilactone G
Common Name: Wuweizidilactone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O13/c1-8-14(2)28(38)42-18-10-19-30(5,6)44-20-11-23(37)46-33(19,20)13-32(40)12-22(41-16(4)36)34-17(9-21-35(34,45-21)26(18)32)15(3)24(47-34)25-27-31(7,48-27)29(39)43-25/h8,15,17-22,24-27,40H,9-13H2,1-7H3/b14-8-/t15-,17+,18+,19-,20+,21-,22-,24-,25+,26+,27-,31-,32-,33+,34+,35+/m0/s1
InChIKey: InChIKey=NDBLQHPPIPRGAQ-RGRKQYBVSA-N
Formula: C35H44O13
Molecular Weight: 672.717414
Exact Mass: 672.278191
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Han, Q.B., Lei, C., Pu, J.X., Xiao, W.L., Yu, J.L., Yang, L.M., Xu, H.X., Zheng, Y.T., Sun, H.D. Tetrahedron (2008) 64, 4260-7
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) | 82 |
| 2 (CH2) | 35.7 |
| 3 (C) | 174.9 |
| 4 (C) | 84.2 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 31.2 |
| 7 (CH) | 70.1 |
| 8 (CH) | 46.5 |
| 9 (C) | 75.1 |
| 10 (C) | 98.1 |
| 11 (CH2) | 41.9 |
| 12 (CH) | 70 |
| 13 (C) | 91.2 |
| 14 (C) | 69.8 |
| 15 (CH) | 55.4 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 43.2 |
| 19 (CH2) | 46.4 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 10.6 |
| 22 (CH) | 85.3 |
| 23 (CH) | 76.2 |
| 24 (CH) | 62.6 |
| 25 (C) | 56.3 |
| 26 (C) | 173.2 |
| 27 (CH3) | 11.4 |
| 28 (CH3) | 22.1 |
| 29 (CH3) | 28.4 |
| 7a (C) | 166.4 |
| 7b (C) | 127.9 |
| 7c (CH) | 139.6 |
| 7d (CH3) | 21.1 |
| 7ba (CH3) | 15.9 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.4 |
