Spektraris NMR
Parvifoline E
Common Name: Parvifoline E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-29-22(28,21(13,16(10)25)17(12)26)18(27)15(20)19(3,8-23)7-6-14(20)30-11(2)24/h12-15,17-18,23,26-28H,1,4-9H2,2-3H3/t12-,13-,14-,15+,17+,18-,19+,20+,21-,22-/m0/s1
InChIKey: InChIKey=KLQMKLWEZHZLQJ-PCTPKWQJSA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, L.M., Li, G.Y., Huang, S.X., Li, S.H., Zhou, Y., Xiao, W.L., Lou, L.G., Ding, L.S., Sun, H.D. J Nat Prod (2006) 69, 645-9
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) | 75.8 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 32.6 |
| 4 (C) | 38.8 |
| 5 (CH) | 56.3 |
| 6 (CH) | 74.2 |
| 7 (C) | 98 |
| 8 (C) | 62.4 |
| 9 (CH) | 52.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 30.4 |
| 13 (CH) | 43.8 |
| 14 (CH) | 73.3 |
| 15 (C) | 209.1 |
| 16 (C) | 152.7 |
| 17 (CH2) | 119.8 |
| 18 (CH2) | 72.4 |
| 19 (CH3) | 17.8 |
| 20 (CH2) | 63.9 |
| 1a (C) | 169.9 |
| 1b (CH3) | 21.4 |
