Spektraris NMR
Frajunolides A
Common Name: Frajunolides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-13-9-10-21(36-17(5)30)27(8)22(37-18(6)31)12-20(35-16(4)29)14(2)24(27)25(38-19(7)32)28(34)15(3)26(33)39-23(28)11-13/h9-11,15,20-25,34H,2,12H2,1,3-8H3/b10-9-,13-11-/t15-,20+,21-,22-,23-,24+,25-,27-,28-/m0/s1
InChIKey: InChIKey=OCDQZJCVMSQQBC-XPZDVESBSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
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) | 46.8 |
| 2 (CH) | 74.4 |
| 3 (CH) | 31.9 |
| 4 (CH) | 29 |
| 5 (C) | 145 |
| 6 (CH) | 120.3 |
| 7 (CH) | 77.6 |
| 8 (C) | 83.1 |
| 9 (CH) | 70.5 |
| 10 (CH) | 42.3 |
| 11 (C) | 148.3 |
| 12 (CH) | 67.3 |
| 13 (CH2) | 34.7 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 15.7 |
| 16 (CH3) | 27.8 |
| 17 (CH) | 42.3 |
| 18 (CH3) | 6.4 |
| 19 (C) | 176 |
| 20 (CH2) | 110.1 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21 |
| 9a (C) | 169.2 |
| 9b (CH3) | 21.6 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.1 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21 |
