Spektraris NMR
Rubriflorin E
Common Name: Rubriflorin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O11/c1-12-20-23-22(13(2)27(37)39-23)41-31-24(20)29(6,25(12)35)7-8-30(42-31)11-15-16(28(4,5)40-17(15)10-19(33)34)9-18(38-14(3)32)21(30)26(31)36/h12-13,17-18,20-24H,7-11H2,1-6H3,(H,33,34)/t12-,13-,17+,18-,20+,21-,22+,23+,24-,29-,30-,31-/m0/s1
InChIKey: InChIKey=CNCOKFZZGLODDQ-NNYIJSMFSA-N
Formula: C31H38O11
Molecular Weight: 586.628016
Exact Mass: 586.241412
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) | 83.5 |
| 2 (CH2) | 42.7 |
| 3 (C) | 173.7 |
| 4 (C) | 88.8 |
| 5 (C) | 135.5 |
| 6 (CH2) | 30.4 |
| 7 (CH) | 69.7 |
| 8 (CH) | 55.2 |
| 9 (C) | 85.2 |
| 10 (C) | 129.3 |
| 11 (CH2) | 40 |
| 12 (CH2) | 30.6 |
| 13 (C) | 50.4 |
| 14 (C) | 209.8 |
| 15 (C) | 99.8 |
| 16 (CH) | 45.2 |
| 17 (C) | 220.1 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 34.2 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 40.3 |
| 23 (CH) | 75 |
| 24 (CH) | 69.2 |
| 25 (CH) | 42.2 |
| 26 (C) | 177.7 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 26.3 |
| 7a (C) | 169.7 |
| 7b (CH3) | 20.9 |
