Spektraris NMR
Frajunolides B
Common Name: Frajunolides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O13/c1-13-10-11-21(38-16(4)31)29(9)23(26(41-19(7)34)30(37)15(3)28(36)43-22(30)12-13)14(2)24(39-17(5)32)25(40-18(6)33)27(29)42-20(8)35/h12,15,21-27,37H,2,10-11H2,1,3-9H3/b13-12-/t15-,21-,22-,23+,24-,25-,26-,27-,29+,30-/m0/s1
InChIKey: InChIKey=BKPVDGWEAXIPIF-JNWKRTFLSA-N
Formula: C30H40O13
Molecular Weight: 608.631971
Exact Mass: 608.246891
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chen, Y.H., Hwang, T.L., Guh, J.H., Khalil, A.T. Helv Chim Acta (2007) 90, 1391-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 46.3 |
| 2 (CH) | 73.6 |
| 3 (CH2) | 30.9 |
| 4 (CH2) | 28.9 |
| 5 (C) | 145.3 |
| 6 (CH) | 119.4 |
| 7 (CH) | 78.1 |
| 8 (C) | 82.2 |
| 9 (CH) | 70.2 |
| 10 (CH) | 40 |
| 11 (C) | 145.7 |
| 12 (CH) | 72.1 |
| 13 (CH) | 66.9 |
| 14 (CH) | 73.6 |
| 15 (CH3) | 14.9 |
| 16 (CH3) | 27.3 |
| 17 (CH) | 43.3 |
| 18 (CH3) | 6.5 |
| 19 (C) | 175.8 |
| 20 (CH2) | 115.2 |
| 2a (C) | 170.6 |
| 2b (CH3) | 20.8 |
| 9a (C) | 169.3 |
| 9b (CH3) | 21.6 |
| 12a (C) | 169.6 |
| 12b (CH3) | 20.8 |
| 13a (C) | 169.6 |
| 13b (CH3) | 21.1 |
| 14a (C) | 170.4 |
| 14b (CH3) | 20.8 |
