Spektraris NMR
Wuweizidilactone C
Common Name: Wuweizidilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O10/c1-14-9-18(38-26(14)35)24-15(2)17-10-21(33)28(6)25-19(37-16(3)32)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h9,15,17-22,24-25,33,36H,7-8,10-13H2,1-6H3/t15-,17-,18-,19+,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=MKIRGJIIUPQTBB-HWGJUMJISA-N
Formula: C31H42O10
Molecular Weight: 574.660374
Exact Mass: 574.277798
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Yang, L.B., Xiao, W.L., Lei, C., Liu, J.P., Lu, Y., Weng, Z.Y., Li, L.M., Li, R.T., Yu, J.L., Zheng, Q.T., Sun, H.D. Chem Eur J (2007) 13, 4816-22
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) | 36.1 |
| 3 (C) | 175 |
| 4 (C) | 84.6 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 31.6 |
| 7 (CH) | 70.1 |
| 8 (CH) | 58.4 |
| 9 (C) | 72.4 |
| 10 (C) | 99.2 |
| 11 (CH2) | 39.5 |
| 12 (CH2) | 35.3 |
| 13 (C) | 94.9 |
| 14 (C) | 55.3 |
| 15 (CH) | 79.4 |
| 16 (CH2) | 33.4 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 24.6 |
| 19 (CH2) | 46.9 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 12.8 |
| 22 (CH) | 88.9 |
| 23 (CH) | 82.4 |
| 24 (CH) | 146.8 |
| 25 (C) | 130.7 |
| 26 (C) | 174.4 |
| 27 (CH3) | 10.8 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 23 |
| 7a (C) | 170.7 |
| 7b (CH3) | 20.9 |
