Spektraris NMR
barringtogenol C
Common Name: barringtogenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=AYDKOFQQBHRXEW-AAUPIIFFSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Massiot G., Chen X., Lavaud C., Men Olivier L. L., Delaude C., Vivari A., Vigny P., Duval J. Phytochemistry (1992) 31, 3571
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) | 38.4 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 78.3 |
| 4 (C) | 38.4 |
| 5 (CH) | 55 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.3 |
| 9 (CH) | 46.9 |
| 10 (C) | 36.5 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 123 |
| 13 (C) | 141.6 |
| 14 (C) | 41 |
| 15 (CH2) | 32.7 |
| 16 (CH) | 66.7 |
| 17 (C) | 45.9 |
| 18 (CH) | 40.6 |
| 19 (CH2) | 46.3 |
| 20 (C) | 35.1 |
| 21 (CH) | 78.2 |
| 22 (CH) | 77.4 |
| 23 (CH3) | 27.5 |
| 24 (CH3) | 15.2 |
| 25 (CH3) | 15.1 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 26.4 |
| 28 (CH2) | 69.5 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 17.9 |
