Spektraris NMR
Schisanlactone E
Common Name: Schisanlactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(2)21-8-10-24-28(6)13-11-22(20(4)23-9-7-19(3)26(33)34-23)27(28,5)15-16-30(24)17-29(21,30)14-12-25(31)32/h7,20-24H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22-,23?,24-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=RRSQKAFYPICCAZ-UONITHKSSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Liu, J., Han, J., Xu, Z., Liu, R., Liu, P., Ma, X., Guan, S., Guo, D. Planta Med (2006) 72, 450-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.31 |
| 2 (CH2) | 26.8 |
| 3 (C) | 179.56 |
| 4 (C) | 149.24 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 24.95 |
| 7 (CH2) | 28.71 |
| 8 (CH) | 47.55 |
| 9 (C) | 21.17 |
| 10 (C) | 27.58 |
| 11 (CH2) | 26.94 |
| 12 (CH2) | 35.57 |
| 13 (C) | 45.57 |
| 14 (C) | 48.54 |
| 15 (CH2) | 32.83 |
| 16 (CH2) | 29.85 |
| 17 (CH) | 48.05 |
| 18 (CH3) | 19.66 |
| 19 (CH2) | 30.92 |
| 20 (CH) | 39.09 |
| 21 (CH3) | 13.03 |
| 22 (CH) | 80.57 |
| 23 (CH2) | 23.43 |
| 24 (CH) | 139.48 |
| 25 (C) | 128.23 |
| 26 (C) | 166.64 |
| 27 (CH3) | 16.98 |
| 28 (CH3) | 19.38 |
| 29 (CH2) | 111.64 |
| 30 (CH3) | 17.8 |
