Spektraris NMR
Briarein L
Common Name: Briarein L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O15/c1-10-11-28(40)47-26-15-25(45-20(5)37)32(8)24(44-19(4)36)13-12-23(16-43-18(3)35)14-27-34(42,17(2)31(41)48-27)30(46-21(6)38)29(32)33(26,9)49-22(7)39/h12-14,17,24-27,29-30,42H,10-11,15-16H2,1-9H3/b13-12-,23-14+/t17-,24-,25-,26+,27-,29+,30-,32-,33+,34-/m0/s1
InChIKey: InChIKey=LCHHAZYGOWPCMD-YCHXNOMHSA-N
Formula: C34H46O15
Molecular Weight: 694.721369
Exact Mass: 694.283671
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Cobar, O.M. J Nat Prod (1996) 59, 15-22
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) | 45.9 |
| 2 (CH) | 75.1 |
| 3 (CH) | 132.3 |
| 4 (CH) | 127.9 |
| 5 (C) | 140.5 |
| 6 (CH) | 123.4 |
| 7 (CH) | 80.2 |
| 8 (C) | 87.9 |
| 9 (CH) | 69.2 |
| 10 (CH) | 39.6 |
| 11 (C) | 81.8 |
| 12 (CH) | 69.9 |
| 13 (CH2) | 25.5 |
| 14 (CH) | 72.5 |
| 15 (CH3) | 15 |
| 16 (CH2) | 63.7 |
| 17 (CH) | 44.6 |
| 18 (CH3) | 7.3 |
| 19 (C) | 175.2 |
| 20 (CH3) | 22.5 |
| 2a (C) | 167.1 |
| 2b (CH3) | 21.5 |
| 9a (C) | 170 |
| 9b (CH3) | 21.3 |
| 11a (C) | 168.7 |
| 11b (CH3) | 21.2 |
| 12a (C) | 171.7 |
| 12b (CH2) | 36.2 |
| 12c (CH2) | 18.2 |
| 12d (CH3) | 13.7 |
| 14a (C) | 169.3 |
| 14b (CH3) | 20.9 |
| 16a (C) | 170.3 |
| 16b (CH3) | 20.9 |
