Spektraris NMR
Rubriflorin F
Common Name: Rubriflorin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O12/c1-12-19-21-25(29(6,38)26(37)40-21)42-31-22(19)28(5,23(12)35)7-8-30(43-31)11-14-15(27(3,4)41-16(14)10-18(33)34)9-17(39-13(2)32)20(30)24(31)36/h12,16-17,19-22,25,38H,7-11H2,1-6H3,(H,33,34)/t12-,16+,17-,19+,20-,21+,22-,25-,28-,29+,30-,31-/m0/s1
InChIKey: InChIKey=GQSDVFBROOVBAH-OEWZLOQJSA-N
Formula: C31H38O12
Molecular Weight: 602.627421
Exact Mass: 602.236327
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) | 42.4 |
| 3 (C) | 173.7 |
| 4 (C) | 88.7 |
| 5 (C) | 135.5 |
| 6 (CH2) | 30.5 |
| 7 (CH) | 69.9 |
| 8 (CH) | 55.3 |
| 9 (C) | 85.3 |
| 10 (C) | 129.5 |
| 11 (CH2) | 41.1 |
| 12 (CH2) | 30.7 |
| 13 (C) | 50.4 |
| 14 (C) | 209.4 |
| 15 (C) | 100 |
| 16 (CH) | 45.2 |
| 17 (C) | 219.7 |
| 18 (CH3) | 26.4 |
| 19 (CH2) | 34.3 |
| 20 (CH) | 44.8 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 40.5 |
| 23 (CH) | 73.4 |
| 24 (CH) | 74.5 |
| 25 (C) | 76.8 |
| 26 (C) | 176.9 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 26.7 |
| 7a (C) | 169.6 |
| 7b (CH3) | 20.9 |
