Spektraris NMR
Rubriflorins C
Common Name: Rubriflorins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O10/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)16(30)10-17(32)21(15)28(4,5)39-18/h10,13-14,18,20,22-24H,7-9,11-12H2,1-6H3/t13-,14-,18+,20+,22+,23+,24-,29-,30-,31-/m0/s1
InChIKey: InChIKey=NGRMPILGZOCJFL-KWPZRPCSSA-N
Formula: C31H36O10
Molecular Weight: 568.612729
Exact Mass: 568.230847
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Li, X.L., Wang, R.R., Yang, L.M., Li, L.M., Huang, S.X., Pu, J.J., Zheng, Y.T., Li, R.T., Sun, H.D. J Nat Prod (2007) 70, 1056-9
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) | 84.7 |
| 2 (CH2) | 40.1 |
| 3 (C) | 170.9 |
| 4 (C) | 90.7 |
| 5 (C) | 141.1 |
| 6 (C) | 185.6 |
| 7 (CH) | 130.3 |
| 8 (C) | 142.5 |
| 9 (C) | 83.2 |
| 10 (C) | 150.1 |
| 11 (CH2) | 36 |
| 12 (CH2) | 31.9 |
| 13 (C) | 51.2 |
| 14 (C) | 200.7 |
| 15 (C) | 101 |
| 16 (CH) | 46.1 |
| 17 (C) | 220 |
| 18 (CH3) | 27 |
| 19 (CH2) | 37.5 |
| 20 (CH) | 45.3 |
| 21 (CH3) | 14.9 |
| 22 (CH) | 40.5 |
| 23 (CH) | 75.2 |
| 24 (CH) | 69.4 |
| 25 (CH) | 42.9 |
| 26 (C) | 177.9 |
| 27 (CH3) | 8.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 29.2 |
| 3a (CH2) | 61.4 |
| 3b (CH3) | 14.7 |
