Spektraris NMR
Rubriflorin J
Common Name: Rubriflorin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O10/c1-12-19-22-21(13(2)26(35)37-22)39-30-23(19)28(5,24(12)33)7-8-29(40-30)11-14-15(9-16(31)20(29)25(30)34)27(3,4)38-17(14)10-18(32)36-6/h12-13,16-17,19-23,31H,7-11H2,1-6H3/t12-,13-,16-,17+,19+,20-,21+,22+,23-,28-,29-,30-/m0/s1
InChIKey: InChIKey=JZSVQNSNOKMFNY-SOGSJLLGSA-N
Formula: C30H38O10
Molecular Weight: 558.617875
Exact Mass: 558.246497
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) | 172 |
| 4 (C) | 89.3 |
| 5 (C) | 136.4 |
| 6 (CH2) | 32.9 |
| 7 (CH) | 69.3 |
| 8 (CH) | 58.7 |
| 9 (C) | 85.2 |
| 10 (C) | 128.3 |
| 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) | 34.1 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.7 |
| 22 (CH) | 40.4 |
| 23 (CH) | 75 |
| 24 (CH) | 69 |
| 25 (CH) | 42.2 |
| 26 (C) | 177.6 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 29.3 |
| 3a (CH3) | 51.5 |
