Spektraris NMR
Erythrolide M
Common Name: Erythrolide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-15-10-11-24(41-20(6)34)31(9)25(42-21(7)35)14-23(44-27(37)13-17(3)40-19(5)33)16(2)12-26-32(39,18(4)30(38)45-26)29(28(15)31)43-22(8)36/h10,12,17-18,23-26,28-29,39H,11,13-14H2,1-9H3/b16-12-/t17?,18-,23+,24-,25-,26-,28+,29-,31+,32-/m0/s1
InChIKey: InChIKey=NBKAWRPDAYLKJU-UITBXSQSSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Banjoo, D., Mootoo, B.S., Ramsewak, R.S., Sharma, R., Lough, A.J., McLean, S., Reynolds, W.F. J Nat Prod (2002) 65, 314-8
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) | 44.8 |
| 2 (CH) | 72.6 |
| 3 (CH2) | 37.7 |
| 4 (CH) | 72.5 |
| 5 (C) | 145.6 |
| 6 (CH) | 122.4 |
| 7 (CH) | 77.5 |
| 8 (C) | 81.6 |
| 9 (CH) | 69.3 |
| 10 (CH) | 39.8 |
| 11 (C) | 134.3 |
| 12 (CH) | 120.8 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 73.2 |
| 15 (CH3) | 14.5 |
| 16 (CH3) | 25.8 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 6.9 |
| 19 (C) | 175.9 |
| 20 (CH3) | 24.6 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.1 |
| 4a (C) | 169.7 |
| 4b (CH2) | 66.9 |
| 4c (CH) | 41.2 |
| 4ca (CH3) | 21.5 |
| 4da (C) | 169.3 |
| 4db (CH3) | 20.1 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.2 |
| 14a (C) | 171 |
| 14b (CH3) | 21.4 |
