Spektraris NMR
Wuweizidilactone E
Common Name: Wuweizidilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O9/c1-15-11-19(37-26(15)34)25-16(2)18-12-22(36-17(3)32)28(6)21-8-7-20-27(4,5)38-23-13-24(33)39-30(20,23)14-29(21,35)9-10-31(18,28)40-25/h11,16,18-23,25,35H,7-10,12-14H2,1-6H3/t16-,18-,19-,20-,21-,22-,23+,25-,28-,29-,30+,31-/m0/s1
InChIKey: InChIKey=NIEWGKGQPUZIJM-DMDWGITCSA-N
Formula: C31H42O9
Molecular Weight: 558.660969
Exact Mass: 558.282883
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) | 82.1 |
| 2 (CH2) | 37 |
| 3 (C) | 175.5 |
| 4 (C) | 85.1 |
| 5 (CH) | 58.6 |
| 6 (CH2) | 29.4 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 57.8 |
| 9 (C) | 70.6 |
| 10 (C) | 100 |
| 11 (CH2) | 38 |
| 12 (CH2) | 34.7 |
| 13 (C) | 93.1 |
| 14 (C) | 53.5 |
| 15 (CH) | 81.9 |
| 16 (CH2) | 30.8 |
| 17 (CH) | 53.1 |
| 18 (CH3) | 24.3 |
| 19 (CH2) | 48.6 |
| 20 (CH) | 36 |
| 21 (CH3) | 12.1 |
| 22 (CH) | 87.2 |
| 23 (CH) | 81.4 |
| 24 (CH) | 147 |
| 25 (C) | 130.5 |
| 26 (C) | 174.4 |
| 27 (CH3) | 10.8 |
| 28 (CH3) | 30 |
| 29 (CH3) | 23.7 |
| 15a (C) | 169.9 |
| 15b (CH3) | 21.5 |
