Spektraris NMR
Barringtogenin
Common Name: Barringtogenin
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: P+P
MHz:
Calibration:
NMR references: 13C - Qiu, S.X., Gong, Y., Cheung, H.T.A. Phytochemistry (1993) 34, 1385-7
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) | 39.2 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 123 |
| 13 (C) | 143.9 |
| 14 (C) | 42.1 |
| 15 (CH2) | 36.4 |
| 16 (CH) | 77.5 |
| 17 (C) | 47.2 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 48.3 |
| 20 (C) | 34.3 |
| 21 (CH) | 78.7 |
| 22 (CH) | 67.9 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17 |
| 27 (CH3) | 27.4 |
| 28 (CH2) | 68.5 |
| 29 (CH3) | 30.5 |
| 30 (CH3) | 19.4 |
