Spektraris NMR
Erytrolide J
Common Name: Erytrolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O17/c1-15(46-18(4)36)11-29(41)51-25-14-27(49-21(7)39)34(9)26(48-20(6)38)13-24(47-19(5)37)16(2)30(34)31(50-22(8)40)35(44)17(3)32(42)52-28(35)12-23(25)33(43)45-10/h12,15-17,24-28,30-31,44H,11,13-14H2,1-10H3/b23-12+/t15?,16-,17-,24+,25+,26-,27-,28-,30+,31-,34+,35-/m0/s1
InChIKey: InChIKey=NZGSDBYQBUCMRF-HSDRQAAPSA-N
Formula: C35H48O17
Molecular Weight: 740.746796
Exact Mass: 740.28915
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dookran, R., Maharaj, D., Mootoo, B.S., Ramsewak, R., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (1993) 56, 1051-6
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) | 45.3 |
| 2 (CH) | 73.7 |
| 3 (CH2) | 36.8 |
| 4 (CH) | 67.9 |
| 5 (C) | 137.5 |
| 6 (CH) | 138.4 |
| 7 (CH) | 76.9 |
| 8 (C) | 82.6 |
| 9 (CH) | 75.6 |
| 10 (CH) | 33.4 |
| 11 (CH) | 42.9 |
| 12 (CH) | 72.7 |
| 13 (CH2) | 24 |
| 14 (CH) | 74.4 |
| 15 (CH3) | 14.9 |
| 16 (C) | 167.2 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 6.4 |
| 19 (C) | 175.5 |
| 20 (CH3) | 15.1 |
| 2a (C) | 170.1 |
| 2b (CH3) | 20.9 |
| 4a (C) | 168.8 |
| 4b (CH2) | 41.5 |
| 4c (CH) | 56.9 |
| 4d (CH3) | 20 |
| 4ca (C) | 170.2 |
| 4cb (CH3) | 21.1 |
| 9a (C) | 169.2 |
| 9b (CH3) | 21.6 |
| 12a (C) | 170.4 |
| 12b (CH3) | 21.1 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21.1 |
| 16a (CH3) | 52.9 |
