Spektraris NMR
Barringtogenin C
Common Name: Barringtogenin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,26-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=CXELEGXSGVFEND-NVTHVPAHSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De Heluani, C.S., De Boggiato, M.V., Catalan, C.A.N., Diaz, J.G., Gedris, T.E., Herz, W. Phytochemistry (1997) 45, 801-5
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) | 28.1 |
| 3 (CH) | 78.8 |
| 4 (C) | 40.1 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.2 |
| 8 (C) | 42.3 |
| 9 (CH) | 44.6 |
| 10 (C) | 38.8 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 76.4 |
| 13 (C) | 90.6 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 21.2 |
| 17 (C) | 44.7 |
| 18 (CH) | 51.1 |
| 19 (CH2) | 38.9 |
| 20 (C) | 31.6 |
| 21 (CH2) | 34 |
| 22 (CH2) | 27.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 17.9 |
| 28 (C) | 179.8 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.9 |
