Spektraris NMR
Frajunolides J
Common Name: Frajunolides J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O11/c1-9-24(33)39-20-13-22(37-18(6)31)28(8)21(36-17(5)30)11-10-14(2)12-23-29(35,16(4)27(34)40-23)26(38-19(7)32)25(28)15(20)3/h12,16,20-23,25-26,35H,3,9-11,13H2,1-2,4-8H3/b14-12-/t16-,20+,21-,22-,23-,25+,26-,28-,29-/m0/s1
InChIKey: InChIKey=WCWDRUMWAKDDMS-FLVBLAMBSA-N
Formula: C29H40O11
Molecular Weight: 564.622425
Exact Mass: 564.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liaw, C.C., Shen, Y.C., Lin, Y.S., Hwang, T.L., Kuo, Y.H., Khalil, A.T. J Nat Prod (2008) 71, 1551-6
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) | 74.2 |
| 3 (CH2) | 32 |
| 4 (CH2) | 29.1 |
| 5 (C) | 145.1 |
| 6 (CH) | 120.3 |
| 7 (CH) | 77.6 |
| 8 (C) | 83.1 |
| 9 (CH) | 70.4 |
| 10 (CH) | 42.1 |
| 11 (C) | 148.6 |
| 12 (CH) | 67.2 |
| 13 (CH2) | 34.7 |
| 14 (CH) | 73.9 |
| 15 (CH3) | 15.7 |
| 16 (CH3) | 28 |
| 17 (CH) | 42.3 |
| 18 (CH3) | 6.5 |
| 19 (C) | 176 |
| 20 (CH2) | 110.1 |
| 2a (C) | 169.9 |
| 2b (CH3) | 21.1 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.7 |
| 12a (C) | 173.8 |
| 12b (CH2) | 27.5 |
| 12c (CH3) | 8.8 |
| 14a (C) | 169.2 |
| 14b (CH3) | 21 |
