Spektraris NMR
Rubriflorin G
Common Name: Rubriflorin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O10/c1-7-37-19(33)11-18-15-12-30-9-8-29(6)24-20(13(2)25(29)34)23-22(14(3)27(36)38-23)40-31(24,41-30)26(35)21(30)17(32)10-16(15)28(4,5)39-18/h13-14,17-18,20-24,32H,7-12H2,1-6H3/t13-,14-,17-,18+,20+,21-,22+,23+,24-,29-,30-,31-/m0/s1
InChIKey: InChIKey=MJYGKMGYFLJZNM-SMOIPZKWSA-N
Formula: C31H40O10
Molecular Weight: 572.644492
Exact Mass: 572.262148
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Pu, J.X., wang, R.R., Yang, L.M., Li, X.L., Li, S.H., Li, R.T., Huang, S.X., Zheng, Y.T., Sun, H.D. Helv Chim Acta (2007) 90, 1505-13
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 83.2 |
| 2 (CH2) | 42.3 |
| 3 (C) | 171.6 |
| 4 (C) | 89.2 |
| 5 (C) | 136.3 |
| 6 (CH2) | 33 |
| 7 (CH) | 69.3 |
| 8 (CH) | 58.7 |
| 9 (C) | 85.2 |
| 10 (C) | 128.4 |
| 11 (CH2) | 41 |
| 12 (CH2) | 30.7 |
| 13 (C) | 50.5 |
| 14 (C) | 211.1 |
| 15 (C) | 99.7 |
| 16 (CH) | 45.3 |
| 17 (C) | 220.2 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 34.2 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.4 |
| 22 (CH) | 40.4 |
| 23 (CH) | 75 |
| 24 (CH) | 69 |
| 25 (CH) | 43.2 |
| 26 (C) | 177.7 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 29.3 |
| 3a (CH2) | 60.5 |
| 3b (CH3) | 14.7 |
