Spektraris NMR
Briareolate ester F
Common Name: Briareolate ester F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O10/c1-9-11-25(33)39-21-16-23(38-20(6)32)30(7)22(40-26(34)12-10-2)14-13-17(3)15-24-31(41-24,19(5)29(36)37-8)28(35)27(30)18(21)4/h15,18-19,21-24,27H,9-14,16H2,1-8H3/b17-15-/t18-,19+,21-,22+,23+,24-,27-,30+,31+/m1/s1
InChIKey: InChIKey=LWLQPKMGWLUQFN-LOTQKBTOSA-N
Formula: C31H46O10
Molecular Weight: 578.692137
Exact Mass: 578.309098
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) | 47 |
| 2 (CH) | 78.6 |
| 3 (CH2) | 29.5 |
| 4 (CH2) | 32.7 |
| 5 (C) | 145.4 |
| 6 (CH) | 114.6 |
| 7 (CH) | 62.6 |
| 8 (C) | 69.8 |
| 9 (C) | 209.9 |
| 10 (CH) | 43.1 |
| 11 (CH) | 34.6 |
| 12 (CH) | 70 |
| 13 (CH2) | 28.8 |
| 14 (CH) | 72.4 |
| 15 (CH3) | 12.1 |
| 16 (CH3) | 26.2 |
| 17 (CH) | 39.3 |
| 18 (CH3) | 12.7 |
| 19 (C) | 172.3 |
| 20 (CH3) | 15.7 |
| 2a (C) | 173.5 |
| 2b (CH2) | 36.3 |
| 2c (CH2) | 18.2 |
| 2d (CH3) | 13.6 |
| 12a (C) | 173 |
| 12b (CH2) | 36.5 |
| 12c (CH2) | 18.5 |
| 12d (CH3) | 13.7 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.5 |
| 19a (CH3) | 51.6 |
