Spektraris NMR
Rubriflorin D
Common Name: Rubriflorin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O10/c1-11-18-21-20(12(2)25(35)36-21)38-29-22(18)27(5,23(11)33)6-7-28(39-29)10-13-14(8-15(30)19(28)24(29)34)26(3,4)37-16(13)9-17(31)32/h11-12,15-16,18-22,30H,6-10H2,1-5H3,(H,31,32)/t11-,12-,15-,16+,18+,19-,20+,21+,22-,27-,28-,29-/m0/s1
InChIKey: InChIKey=MNQKGMIEVRIHOC-MMRWCLEISA-N
Formula: C29H36O10
Molecular Weight: 544.591257
Exact Mass: 544.230847
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) | 83.6 |
| 2 (CH2) | 42.3 |
| 3 (C) | 174.3 |
| 4 (C) | 89.1 |
| 5 (C) | 136 |
| 6 (CH2) | 33.1 |
| 7 (CH) | 69.3 |
| 8 (CH) | 58.7 |
| 9 (C) | 85.2 |
| 10 (C) | 128.8 |
| 11 (CH2) | 40.9 |
| 12 (CH2) | 30.7 |
| 13 (C) | 50.5 |
| 14 (C) | 211.1 |
| 15 (C) | 99.7 |
| 16 (CH) | 45.3 |
| 17 (C) | 220.3 |
| 18 (CH3) | 26.9 |
| 19 (CH2) | 34.1 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 40.3 |
| 23 (CH) | 75.1 |
| 24 (CH) | 69 |
| 25 (CH) | 43.1 |
| 26 (C) | 177.7 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 29.3 |
