Spektraris NMR
Erythrolide N
Common Name: Erythrolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O14/c1-15-9-10-24(42-19(5)35)31(8)25(43-20(6)36)13-23(45-27(38)11-16(2)41-18(4)34)22(14-33)12-26-32(40,17(3)30(39)46-26)29(28(15)31)44-21(7)37/h9,12,16-17,23-26,28-29,33,40H,10-11,13-14H2,1-8H3/b22-12-/t16?,17-,23+,24-,25-,26-,28+,29-,31+,32-/m0/s1
InChIKey: InChIKey=IUQHEWBZZLUJDK-LATKGUQXSA-N
Formula: C32H44O14
Molecular Weight: 652.684611
Exact Mass: 652.273106
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) | 73.7 |
| 3 (CH2) | 37.6 |
| 4 (CH) | 71.1 |
| 5 (C) | 146.7 |
| 6 (CH) | 126.2 |
| 7 (CH) | 77.3 |
| 8 (C) | 81.7 |
| 9 (CH) | 69.5 |
| 10 (CH) | 39.7 |
| 11 (C) | 134.5 |
| 12 (CH) | 120.4 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 73.1 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 67 |
| 17 (CH) | 43.7 |
| 18 (CH3) | 6.9 |
| 19 (C) | 176 |
| 20 (CH3) | 27.5 |
| 2a (C) | 171.9 |
| 2b (CH3) | 21.2 |
| 4a (C) | 169.7 |
| 4b (CH2) | 66.9 |
| 4c (CH) | 41.2 |
| 4d (CH3) | 21.5 |
| 4ca (C) | 169.6 |
| 4cb (CH3) | 20.1 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.2 |
| 14a (C) | 171 |
| 14b (CH3) | 21.2 |
