Spektraris NMR
Junceellolides E
Common Name: Junceellolides E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O9/c1-8-22(30)35-20-11-9-14(2)13-21-27(32,16(4)25(31)36-21)24(34-18(6)29)23-15(3)10-12-19(26(20,23)7)33-17(5)28/h13,16,19-21,23-24,32H,3,8-12H2,1-2,4-7H3/b14-13-/t16-,19-,20-,21-,23+,24-,26+,27-/m0/s1
InChIKey: InChIKey=UTRRVFIPDVKXOZ-JXKITIDYSA-N
Formula: C27H38O9
Molecular Weight: 506.586262
Exact Mass: 506.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Wu, S.L., Fang, H.J., Chiang, M.Y., Wu, J.Y., Fang, L.S., Sheu, J.H. J Nat Prod (2000) 63, 1483-7
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) | 46.9 |
| 2 (CH) | 74 |
| 3 (CH2) | 31.2 |
| 4 (CH2) | 29.1 |
| 5 (C) | 145.2 |
| 6 (CH) | 120.4 |
| 7 (CH) | 78 |
| 8 (C) | 83.1 |
| 9 (CH) | 71.3 |
| 10 (CH) | 41.8 |
| 11 (C) | 151 |
| 12 (CH2) | 26.3 |
| 13 (CH2) | 26.8 |
| 14 (CH) | 74.4 |
| 15 (CH3) | 15.6 |
| 16 (CH3) | 27 |
| 17 (CH) | 42.5 |
| 18 (CH3) | 6.5 |
| 19 (C) | 176.1 |
| 20 (CH2) | 113.1 |
| 2a (C) | 173.7 |
| 2b (CH2) | 27.6 |
| 2c (CH3) | 8.9 |
| 9a (C) | 169.5 |
| 9b (CH3) | 21.2 |
| 14a (C) | 170.3 |
| 14b (CH3) | 21.7 |
