Spektraris NMR
Briareolate ester I
Common Name: Briareolate ester I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O7/c1-7-8-20(27)31-18-10-9-14(2)13-19-25(32-19,16(4)23(29)30-6)22(28)21-15(3)17(26)11-12-24(18,21)5/h11-13,15-16,18-19,21H,7-10H2,1-6H3/b14-13-/t15-,16+,18+,19-,21-,24-,25+/m1/s1
InChIKey: InChIKey=RCDSFTUSHMUUCY-IAUGXGAISA-N
Formula: C25H34O7
Molecular Weight: 446.534218
Exact Mass: 446.230453
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) | 45.8 |
| 2 (CH) | 81.8 |
| 3 (CH2) | 29.6 |
| 4 (CH2) | 32.6 |
| 5 (C) | 146.2 |
| 6 (CH) | 114.9 |
| 7 (CH) | 63.5 |
| 8 (C) | 68.9 |
| 9 (C) | 206.9 |
| 10 (CH) | 49.8 |
| 11 (CH) | 40.5 |
| 12 (C) | 198.8 |
| 13 (CH) | 126.7 |
| 14 (CH) | 150.9 |
| 15 (CH3) | 14.2 |
| 16 (CH3) | 26.1 |
| 17 (CH) | 39.3 |
| 18 (CH3) | 12.5 |
| 19 (C) | 172 |
| 20 (CH3) | 12.5 |
| 2a (C) | 173 |
| 2b (CH2) | 36.4 |
| 2c (CH2) | 18.5 |
| 2d (CH3) | 13.7 |
| 19a (CH3) | 51.6 |
