Spektraris NMR
Hebeirubescensin E
Common Name: Hebeirubescensin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O7/c1-5-6-7-10-31-21-24-16(27)8-9-22(3,4)18(24)20(29)25(30,32-21)23-12-14(13(2)19(23)28)11-15(26)17(23)24/h14-18,20-21,26-27,29-30H,2,5-12H2,1,3-4H3/t14-,15+,16+,17-,18-,20+,21+,23+,24-,25+/m1/s1
InChIKey: InChIKey=XEZZZVDLKIRYKP-LKVQEKAGSA-N
Formula: C25H38O7
Molecular Weight: 450.565981
Exact Mass: 450.261754
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Zhou, Y., Pu, J.X., Li, R.T., Li, M., Xiao, W.L., Lou, L.G., Han, Q.B., Ding, L.S., Peng, S.L., Sun, H.D. Tetrahedron (2006) 62, 4941-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 75.1 |
| 2 (CH2) | 29.5 |
| 3 (CH2) | 39.7 |
| 4 (C) | 34.3 |
| 5 (CH) | 60.3 |
| 6 (CH) | 74.5 |
| 7 (C) | 97 |
| 8 (C) | 59.8 |
| 9 (CH) | 58.8 |
| 10 (C) | 44 |
| 11 (CH) | 66.2 |
| 12 (CH2) | 39.1 |
| 13 (CH) | 35 |
| 14 (CH2) | 27.8 |
| 15 (C) | 212 |
| 16 (C) | 154.3 |
| 17 (CH2) | 115.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22.7 |
| 20 (CH) | 101.7 |
| 20a (CH2) | 67.3 |
| 20b (CH2) | 38.7 |
| 20c (CH2) | 25.5 |
| 20d (CH2) | 22.5 |
| 20e (CH3) | 22.5 |
