Spektraris NMR
Frajunolides D
Common Name: Frajunolides D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O14/c1-14-27(36)44-24-10-20(12-38-15(2)31)8-9-21(40-16(3)32)28(7)22(41-17(4)33)11-23(42-18(5)34)29(13-39-29)25(28)26(30(14,24)37)43-19(6)35/h8-10,14,21-26,37H,11-13H2,1-7H3/b9-8-,20-10+/t14-,21-,22-,23+,24-,25+,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=KICMFMMVBNCZJN-NTSHOLPNSA-N
Formula: C30H38O14
Molecular Weight: 622.615495
Exact Mass: 622.226156
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) | 47.2 |
| 2 (CH) | 74.5 |
| 3 (CH) | 132.6 |
| 4 (CH) | 127.6 |
| 5 (C) | 139.8 |
| 6 (CH) | 122.7 |
| 7 (CH) | 78.9 |
| 8 (C) | 81.2 |
| 9 (CH) | 64.1 |
| 10 (CH) | 32.9 |
| 11 (C) | 59.2 |
| 12 (CH) | 73.3 |
| 13 (CH2) | 28.6 |
| 14 (CH) | 73.6 |
| 15 (CH3) | 14.1 |
| 16 (CH2) | 63.3 |
| 17 (CH) | 44.3 |
| 18 (CH3) | 6.4 |
| 19 (C) | 175.4 |
| 20 (CH2) | 49 |
| 2a (C) | 169.4 |
| 2b (CH3) | 21.2 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.6 |
| 12a (C) | 170.3 |
| 12b (CH3) | 21.2 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.2 |
| 16a (C) | 170.3 |
| 16b (CH3) | 20.9 |
