Spektraris NMR
Wuweizilactone acid
Common Name: Wuweizilactone acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-18(2)21-9-10-23-28(5)15-22(31)25(20-8-6-7-19(3)26(34)35-16-20)27(28,4)13-14-30(23)17-29(21,30)12-11-24(32)33/h7,21-23,31H,1,6,8-17H2,2-5H3,(H,32,33)/b19-7-,25-20+/t21-,22-,23-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=WGHZZYYUPHHROZ-XVVLKCEASA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
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 (CH2) | 29.9 |
| 2 (CH2) | 32.6 |
| 3 (C) | 177 |
| 4 (C) | 149.9 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 25.2 |
| 8 (CH) | 46.5 |
| 9 (C) | 20.9 |
| 10 (C) | 27.7 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 32.2 |
| 13 (C) | 46.1 |
| 14 (C) | 48.6 |
| 15 (CH2) | 46.7 |
| 16 (CH) | 71.7 |
| 17 (C) | 152.5 |
| 18 (CH3) | 25.1 |
| 19 (CH2) | 30.1 |
| 20 (C) | 131.2 |
| 21 (CH2) | 69.9 |
| 22 (CH2) | 23.7 |
| 23 (CH2) | 30.3 |
| 24 (CH) | 133.6 |
| 25 (C) | 126.2 |
| 26 (C) | 173.4 |
| 27 (CH3) | 22.2 |
| 28 (CH2) | 112 |
| 29 (CH3) | 20 |
| 30 (CH3) | 21.2 |
