Spektraris NMR
Briareolate ester G
Common Name: Briareolate ester G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O8/c1-8-9-23(30)35-21-13-11-15(2)10-12-19(16(3)26(32)33-7)25(31)24-17(4)20(29)14-22(27(21,24)6)34-18(5)28/h10,12,16-17,20-22,24,29H,8-9,11,13-14H2,1-7H3/b15-10-,19-12-/t16-,17-,20-,21+,22+,24-,27+/m1/s1
InChIKey: InChIKey=PFZIKZPNVHMBFU-ORPCYTHISA-N
Formula: C27H40O8
Molecular Weight: 492.602739
Exact Mass: 492.272318
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) | 44.8 |
| 2 (CH) | 73.6 |
| 3 (CH2) | 30.8 |
| 4 (CH2) | 28.7 |
| 5 (C) | 144.8 |
| 6 (CH) | 123.5 |
| 7 (CH) | 138.1 |
| 8 (C) | 144.3 |
| 9 (C) | 205.7 |
| 10 (CH) | 45.8 |
| 11 (CH) | 38.9 |
| 12 (CH) | 71 |
| 13 (CH2) | 31.5 |
| 14 (CH) | 75.6 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 27.2 |
| 17 (CH) | 44.2 |
| 18 (CH3) | 18.9 |
| 19 (C) | 174.6 |
| 20 (CH3) | 16.9 |
| 2a (C) | 173.3 |
| 2b (CH2) | 36.3 |
| 2c (CH2) | 18.1 |
| 2d (CH3) | 13.7 |
| 14a (C) | 169.1 |
| 14b (CH3) | 21.3 |
| 19a (CH3) | 51.8 |
