Spektraris NMR
Wuweizidilactone B
Common Name: Wuweizidilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O11/c1-8-15(2)27(38)19-10-22-31(6,7)43-23-12-26(37)45-33(22,23)14-32(40)13-25(41-18(5)36)34-20(11-24-35(34,44-24)29(19)32)17(4)28(46-34)21-9-16(3)30(39)42-21/h8-9,17,19-25,28-29,40H,10-14H2,1-7H3/b15-8-/t17-,19-,20+,21-,22-,23+,24-,25-,28-,29+,32-,33+,34+,35+/m0/s1
InChIKey: InChIKey=LNCLJXSSODQRSA-LBNFWJIYSA-N
Formula: C35H44O11
Molecular Weight: 640.718604
Exact Mass: 640.288362
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) | 35.6 |
| 3 (C) | 174.9 |
| 4 (C) | 84.2 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 70.2 |
| 8 (CH) | 46.2 |
| 9 (C) | 75.2 |
| 10 (C) | 98.2 |
| 11 (CH2) | 41.5 |
| 12 (CH) | 70.4 |
| 13 (C) | 90.7 |
| 14 (C) | 69.7 |
| 15 (CH) | 55.2 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 43.6 |
| 19 (CH2) | 46.1 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 11.7 |
| 22 (CH) | 84.9 |
| 23 (CH) | 81.4 |
| 24 (CH) | 146.7 |
| 25 (C) | 130.9 |
| 26 (C) | 174.1 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 22.1 |
| 7a (C) | 166.4 |
| 7b (C) | 128 |
| 7c (CH) | 139.4 |
| 7d (CH3) | 21.1 |
| 7e (CH3) | 15.9 |
| 12a (C) | 170.8 |
| 12b (CH3) | 21.4 |
