Spektraris NMR
19a-hydroxyferna-7,9(11)-diene
Common Name: 19a-hydroxyferna-7,9(11)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)22-18-23(31)25-28(22,6)16-17-29(7)21-10-11-24-26(3,4)13-9-14-27(24,5)20(21)12-15-30(25,29)8/h10,12,19,22-25,31H,9,11,13-18H2,1-8H3/t22-,23-,24?,25-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=IKBSUPYQHIJKAQ-BTBDDBOCSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsuzuki, K., Ohashi, A., Arai, Y., Masuda, K., Takano, A., Shiojima, K., Ageta, H., Cai, S.Q. Phytochemistry (2001) 58, 363-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 37.44 |
| 2 (CH2) | 19.09 |
| 3 (CH2) | 42.42 |
| 4 (C) | 36.66 |
| 5 (CH) | 48.51 |
| 6 (CH2) | 24.27 |
| 7 (CH) | 118.64 |
| 8 (C) | 146.42 |
| 9 (C) | 140.43 |
| 10 (C) | 33.34 |
| 11 (CH) | 112.64 |
| 12 (CH2) | 36.79 |
| 13 (C) | 37.34 |
| 14 (C) | 41.09 |
| 15 (CH2) | 28.49 |
| 16 (CH2) | 37.55 |
| 17 (C) | 42.42 |
| 18 (CH) | 56.13 |
| 19 (CH) | 71.76 |
| 20 (CH2) | 42.05 |
| 21 (CH) | 59.7 |
| 22 (CH) | 30.48 |
| 23 (CH3) | 32.83 |
| 24 (CH3) | 22.07 |
| 25 (CH3) | 20.44 |
| 26 (CH3) | 20.83 |
| 27 (CH3) | 16.58 |
| 28 (CH3) | 16.58 |
| 29 (CH3) | 22.23 |
| 30 (CH3) | 22.97 |
