Spektraris NMR
Rubriflorin H
Common Name: Rubriflorin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O11/c1-7-38-18(33)11-17-14-12-30-9-8-28(5)22-19(13(2)23(28)34)21-25(29(6,37)26(36)39-21)41-31(22,42-30)24(35)20(30)16(32)10-15(14)27(3,4)40-17/h13,16-17,19-22,25,32,37H,7-12H2,1-6H3/t13-,16-,17+,19+,20-,21+,22-,25-,28-,29+,30-,31-/m0/s1
InChIKey: InChIKey=QVHLTAAZKZKNQZ-UMSUJWLJSA-N
Formula: C31H40O11
Molecular Weight: 588.643897
Exact Mass: 588.257062
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) | 42.6 |
| 3 (C) | 172.2 |
| 4 (C) | 89.8 |
| 5 (C) | 136.5 |
| 6 (CH2) | 32.5 |
| 7 (CH) | 69.7 |
| 8 (CH) | 58.9 |
| 9 (C) | 85.7 |
| 10 (C) | 128.7 |
| 11 (CH2) | 41.2 |
| 12 (CH2) | 31 |
| 13 (C) | 50.9 |
| 14 (C) | 211.6 |
| 15 (C) | 100.3 |
| 16 (CH) | 45.6 |
| 17 (C) | 221.2 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 34.5 |
| 20 (CH) | 45.2 |
| 21 (CH3) | 15 |
| 22 (CH) | 40.7 |
| 23 (CH) | 73.4 |
| 24 (CH) | 75.1 |
| 25 (C) | 77.2 |
| 26 (C) | 177.5 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 29.6 |
| 29 (CH3) | 26.7 |
| 3a (CH2) | 61.1 |
| 3b (CH3) | 14.7 |
