Spektraris NMR
Rubriflorins A
Common Name: Rubriflorins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O10/c1-12-18-21-20(13(2)25(34)36-21)39-30-22(18)27(5,23(12)32)7-8-28(40-30)11-29-15(9-14(37-29)19(28)24(30)33)26(3,4)38-16(29)10-17(31)35-6/h12-16,18-22H,7-11H2,1-6H3/t12-,13-,14+,15-,16+,18+,19-,20+,21+,22-,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=WBQRNKRTGAKXNI-DATCFSHWSA-N
Formula: C30H38O10
Molecular Weight: 558.617875
Exact Mass: 558.246497
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Li, X.L., Wang, R.R., Yang, L.M., Li, L.M., Huang, S.X., Pu, J.J., Zheng, Y.T., Li, R.T., Sun, H.D. J Nat Prod (2007) 70, 1056-9
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) | 80 |
| 2 (CH2) | 36.8 |
| 3 (C) | 171.7 |
| 4 (C) | 81.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 79.5 |
| 8 (CH) | 51.9 |
| 9 (C) | 80 |
| 10 (C) | 93.7 |
| 11 (CH2) | 40.8 |
| 12 (CH2) | 30.3 |
| 13 (C) | 50.5 |
| 14 (C) | 210 |
| 15 (C) | 99.8 |
| 16 (CH) | 45.6 |
| 17 (C) | 219.8 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 26.4 |
| 20 (CH) | 45 |
| 21 (CH3) | 14.5 |
| 22 (CH) | 40.3 |
| 23 (CH) | 74.9 |
| 24 (CH) | 69.5 |
| 25 (CH) | 42.1 |
| 26 (C) | 177.3 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 23.3 |
| 29 (CH3) | 30 |
| 3a (CH3) | 51.6 |
