Spektraris NMR
Rubriflorin I
Common Name: Rubriflorin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O12/c1-7-39-17(33)11-16-13-12-30-9-8-27(4)21-19(28(5,37)24(27)35)20-23(29(6,38)25(36)40-20)42-31(21,43-30)22(34)18(30)15(32)10-14(13)26(2,3)41-16/h15-16,18-21,23,32,37-38H,7-12H2,1-6H3/t15-,16+,18-,19+,20+,21-,23-,27-,28+,29+,30-,31-/m0/s1
InChIKey: InChIKey=IYOVQLMPUGEZEG-YRIQMXDCSA-N
Formula: C31H40O12
Molecular Weight: 604.643302
Exact Mass: 604.251977
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) | 83.3 |
| 2 (CH2) | 42.1 |
| 3 (C) | 171.5 |
| 4 (C) | 89.3 |
| 5 (C) | 136.3 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 69.5 |
| 8 (CH) | 58.8 |
| 9 (C) | 85.8 |
| 10 (C) | 128.1 |
| 11 (CH2) | 40.8 |
| 12 (CH2) | 30.3 |
| 13 (C) | 49.8 |
| 14 (C) | 210.8 |
| 15 (C) | 99.4 |
| 16 (CH) | 45.3 |
| 17 (C) | 219.9 |
| 18 (CH3) | 27.3 |
| 19 (CH2) | 34.1 |
| 20 (C) | 74.6 |
| 21 (CH3) | 24.6 |
| 22 (CH) | 42.1 |
| 23 (CH) | 73.2 |
| 24 (CH) | 76.4 |
| 25 (C) | 76.6 |
| 26 (C) | 176.9 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 26.8 |
| 3a (CH2) | 60.4 |
| 3b (CH3) | 14.3 |
