Spektraris NMR
Parvifoline I
Common Name: Parvifoline I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-10-12-7-13(24)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)29-11(2)23/h12-16,18,24,26-27H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16-,18+,20+,21+,22+/m1/s1
InChIKey: InChIKey=UGIAYRYHEATYSR-XNZHLAQLSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
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) | 76.4 |
| 2 (CH2) | 24.5 |
| 3 (CH2) | 39.3 |
| 4 (C) | 34.1 |
| 5 (CH) | 62.2 |
| 6 (CH) | 74.3 |
| 7 (C) | 95.9 |
| 8 (C) | 60.3 |
| 9 (CH) | 58.1 |
| 10 (C) | 40.8 |
| 11 (CH) | 62.5 |
| 12 (CH2) | 40.5 |
| 13 (CH) | 35.3 |
| 14 (CH2) | 28.2 |
| 15 (C) | 211.8 |
| 16 (C) | 154 |
| 17 (CH2) | 115.4 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 22.1 |
| 20 (CH2) | 64.6 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.2 |
