Spektraris NMR
Briarellin-I
Common Name: Briarellin-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O5/c1-6-7-8-9-10-13-23(29)33-22-16-20-19(3)17-31-27(4)14-11-12-18(2)15-21-25(28(22,5)30)24(20)26(27)32-21/h19-22,24-26,30H,2,6-17H2,1,3-5H3/t19-,20-,21-,22-,24-,25-,26-,27-,28-/m0/s1
InChIKey: InChIKey=GGABJCIMEQXKJD-PLDABBGUSA-N
Formula: C28H46O5
Molecular Weight: 462.662904
Exact Mass: 462.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Cobar, O.M. Chem Pharm Bull (1995) 43, 1853-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 40.11 |
| 2 (CH) | 92.74 |
| 3 (C) | 77.21 |
| 4 (CH2) | 37.66 |
| 5 (CH2) | 29.68 |
| 6 (CH2) | 36.04 |
| 7 (C) | 146.65 |
| 8 (CH2) | 42.64 |
| 9 (CH) | 79.61 |
| 10 (CH) | 49.38 |
| 11 (C) | 71.92 |
| 12 (CH) | 76.26 |
| 13 (CH2) | 32.68 |
| 14 (CH) | 37.03 |
| 15 (CH) | 35.94 |
| 16 (CH2) | 68.03 |
| 17 (CH3) | 10.66 |
| 18 (CH3) | 24.17 |
| 19 (CH2) | 114.6 |
| 20 (CH3) | 25.7 |
| 12a (C) | 173.84 |
| 12b (CH2) | 34.51 |
| 12c (CH2) | 25 |
| 12d (CH2) | 29.06 |
| 12e (CH2) | 28.94 |
| 12f (CH2) | 31.65 |
| 12g (CH2) | 22.59 |
| 12h (CH3) | 14.05 |
