Spektraris NMR
Briarlide I
Common Name: Briarlide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O14/c1-10-11-12-13-14-15-26(41)49-27-19(2)18-25-36(35(9,50-36)32(42)48-25)31(47-23(6)40)29-33(7,17-16-24(34(29,8)43)44-20(3)37)30(46-22(5)39)28(27)45-21(4)38/h16-18,24-25,27-31,43H,10-15H2,1-9H3/b19-18-/t24-,25+,27+,28-,29-,30+,31+,33+,34-,35-,36+/m1/s1
InChIKey: InChIKey=SDDBDSSLCGRGSD-AAIDDTOHSA-N
Formula: C36H50O14
Molecular Weight: 706.775199
Exact Mass: 706.320056
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. J Nat Prod (2005) 68, 31-5
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) | 76.7 |
| 3 (CH) | 70.7 |
| 4 (CH) | 76 |
| 5 (C) | 140.3 |
| 6 (CH) | 125.3 |
| 7 (CH) | 73.2 |
| 8 (C) | 71.5 |
| 9 (CH) | 65.1 |
| 10 (CH) | 43.6 |
| 11 (C) | 72.6 |
| 12 (CH) | 73.2 |
| 13 (CH) | 123.2 |
| 14 (CH) | 140.1 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.5 |
| 17 (C) | 64.7 |
| 18 (CH3) | 9.8 |
| 19 (C) | 170.5 |
| 20 (CH3) | 21.2 |
| 2a (C) | 168.7 |
| 2b (CH3) | 20.9 |
| 3a (C) | 169.7 |
| 3b (CH3) | 20.9 |
| 4a (C) | 172.7 |
| 4b (CH2) | 31.2 |
| 4c (CH2) | 31.6 |
| 4d (CH2) | 29 |
| 4e (CH2) | 28.8 |
| 4f (CH2) | 24.7 |
| 4g (CH2) | 22.6 |
| 4h (CH3) | 14.1 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.1 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.3 |
