Spektraris NMR
Heteroclitalactone E
Common Name: Heteroclitalactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O7/c1-18-8-12-25(38-28(18)35)32(7,36)24-14-15-30(5)23-11-10-22-20(9-13-27(34)39-29(22,3)4)16-21(23)17-26(31(24,30)6)37-19(2)33/h8-11,13,16,22,24-26,36H,12,14-15,17H2,1-7H3/t22?,24-,25?,26+,30+,31+,32-/m1/s1
InChIKey: InChIKey=XHOUDPVGNPJRHS-IKFKPGFOSA-N
Formula: C32H40O7
Molecular Weight: 536.657013
Exact Mass: 536.277404
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 (CH) | 141.43 |
| 2 (CH) | 119.05 |
| 3 (C) | 166.63 |
| 4 (C) | 78.74 |
| 5 (CH) | 51.46 |
| 6 (CH) | 123.43 |
| 7 (CH) | 124.74 |
| 8 (C) | 149.44 |
| 9 (C) | 130.76 |
| 10 (C) | 127.46 |
| 11 (CH2) | 37.23 |
| 12 (CH) | 73.93 |
| 13 (C) | 50.76 |
| 14 (C) | 49.16 |
| 15 (CH2) | 32.22 |
| 16 (CH2) | 23.54 |
| 17 (CH) | 40.84 |
| 18 (CH3) | 18.59 |
| 19 (CH) | 134.89 |
| 20 (C) | 75.9 |
| 21 (CH3) | 21.67 |
| 22 (CH) | 84.27 |
| 23 (CH2) | 24.45 |
| 24 (CH) | 139.08 |
| 25 (C) | 128.27 |
| 26 (C) | 165.35 |
| 27 (CH3) | 16.89 |
| 28 (CH3) | 29.12 |
| 29 (CH3) | 25.11 |
| 30 (CH3) | 27.38 |
| 12a (C) | 171.39 |
| 12b (CH3) | 21.51 |
