Spektraris NMR
Briareolate ester E
Common Name: Briareolate ester E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O10/c1-9-10-24(32)38-21-12-11-15(2)13-23-29(39-23,17(4)27(34)35-8)26(33)25-16(3)20(36-18(5)30)14-22(28(21,25)7)37-19(6)31/h13,16-17,20-23,25H,9-12,14H2,1-8H3/b15-13-/t16-,17+,20-,21+,22+,23-,25-,28+,29+/m1/s1
InChIKey: InChIKey=NGLUOUFRVZNZPM-GMZRYTOISA-N
Formula: C29H42O10
Molecular Weight: 550.638902
Exact Mass: 550.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mootoo, B.S., Ramsewak, R., Sharma, R., Tinto, W.F., Lough, A.J., McLean, S., Reynolds, W.F., Yang, J.P., Yu, M. Tetrahedron (1996) 52, 9953-62
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) | 46.6 |
| 2 (CH) | 79.2 |
| 3 (CH2) | 29.5 |
| 4 (CH2) | 32.3 |
| 5 (C) | 145.5 |
| 6 (CH) | 114.6 |
| 7 (CH) | 62.9 |
| 8 (C) | 69.7 |
| 9 (C) | 209.9 |
| 10 (CH) | 43.3 |
| 11 (CH) | 34.7 |
| 12 (CH) | 70.6 |
| 13 (CH2) | 28.6 |
| 14 (CH) | 72.6 |
| 15 (CH3) | 12.3 |
| 16 (CH3) | 26.6 |
| 17 (CH) | 39.6 |
| 18 (CH3) | 12.7 |
| 19 (C) | 172.2 |
| 20 (CH3) | 16 |
| 2a (C) | 173.6 |
| 2b (CH2) | 36.4 |
| 2c (CH2) | 18.4 |
| 2d (CH3) | 14 |
| 12a (C) | 170 |
| 12b (CH3) | 21.1 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.3 |
| 19a (CH3) | 51.9 |
