Spektraris NMR
Wuweizidilactone A
Common Name: Wuweizidilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O10/c1-7-14(2)25(36)17-9-20-29(5,6)40-22-11-24(35)42-31(20,22)13-30(38)12-21(34)32-18(10-23-33(32,41-23)27(17)30)16(4)26(43-32)19-8-15(3)28(37)39-19/h7-8,16-20,22-23,26-27,38H,9-13H2,1-6H3/b14-7-/t16-,17-,18+,19-,20-,22+,23-,26-,27+,30-,31+,32+,33+/m0/s1
InChIKey: InChIKey=WPMSGYXDYGWAPX-BMXMIFIESA-N
Formula: C33H40O10
Molecular Weight: 596.665964
Exact Mass: 596.262148
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) | 81.8 |
| 2 (CH2) | 35.3 |
| 3 (C) | 174.7 |
| 4 (C) | 84.1 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 69.5 |
| 8 (CH) | 46.2 |
| 9 (C) | 79.2 |
| 10 (C) | 97.6 |
| 11 (CH2) | 54 |
| 12 (C) | 202.7 |
| 13 (C) | 94.1 |
| 14 (C) | 72.5 |
| 15 (CH) | 56.7 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 41.5 |
| 19 (CH2) | 45.2 |
| 20 (CH) | 37.8 |
| 21 (CH3) | 11.9 |
| 22 (CH) | 85.6 |
| 23 (CH) | 81.5 |
| 24 (CH) | 146.3 |
| 25 (C) | 131.2 |
| 26 (C) | 173.9 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.7 |
| 7a (C) | 166.1 |
| 7b (C) | 127.5 |
| 7c (CH) | 140.3 |
| 7d (CH3) | 20.9 |
| 7e (CH3) | 15.9 |
