Spektraris NMR
R1-Barrigenol
Common Name: R1-Barrigenol
Synonyms: R1-Barrigenol
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,17-24,31-36H,9-15H2,1-7H3/t17-,18-,19+,20-,21-,22-,23-,24+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=DZVVEETZRZUXLI-RVWOYFKVSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Dellagreca, M., Fiorentino, A., Monaco, P., Previtera, L. Phytochemistry (1994) 35, 201-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH2) | 39.4 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 36.8 |
| 8 (C) | 41.5 |
| 9 (CH) | 47.5 |
| 10 (C) | 37.5 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 124.6 |
| 13 (C) | 144.8 |
| 14 (C) | 48.2 |
| 15 (CH) | 67.5 |
| 16 (CH) | 72.4 |
| 17 (C) | 47.5 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 47.9 |
| 20 (C) | 36.4 |
| 21 (CH) | 78.4 |
| 22 (CH) | 77.2 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 21.1 |
| 28 (CH2) | 67.8 |
| 29 (CH3) | 30.6 |
| 30 (CH3) | 19.5 |
