Spektraris NMR
Erythrolide O
Common Name: Erythrolide O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O13/c1-13-20(38-15(3)30)12-22(40-17(5)32)28(7)21(39-16(4)31)10-9-19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h11,13-14,20-25,36H,9-10,12H2,1-8H3/b19-11+/t13-,14-,20+,21-,22-,23-,24+,25-,28-,29-/m0/s1
InChIKey: InChIKey=VXLRUARRHGRFLY-WJYGRAKISA-N
Formula: C29H40O13
Molecular Weight: 596.621235
Exact Mass: 596.246891
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) | 45.2 |
| 2 (CH) | 74.5 |
| 3 (CH2) | 30.5 |
| 4 (CH2) | 22.8 |
| 5 (C) | 139.4 |
| 6 (CH) | 132.8 |
| 7 (CH) | 77.4 |
| 8 (C) | 83.2 |
| 9 (CH) | 76.2 |
| 10 (CH) | 34.2 |
| 11 (CH) | 42.6 |
| 12 (CH) | 72.7 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 74.7 |
| 15 (CH3) | 15.3 |
| 16 (C) | 168.9 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 6.6 |
| 19 (C) | 175.4 |
| 20 (CH3) | 15.2 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21 |
| 9a (C) | 169.4 |
| 9b (CH3) | 21.7 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.4 |
| 14a (C) | 169 |
| 14b (CH3) | 21.3 |
| 16a (CH3) | 52.6 |
