Spektraris NMR
Rubriflorins B
Common Name: Rubriflorins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O10/c1-12-19-22-21(13(2)26(35)37-22)39-30-23(19)28(5,24(12)33)7-8-29(40-30)11-14-17(10-18(32)36-6)38-27(3,4)20(14)16(31)9-15(29)25(30)34/h9,12-13,17,19,21-23H,7-8,10-11H2,1-6H3/t12-,13-,17+,19+,21+,22+,23-,28-,29-,30-/m0/s1
InChIKey: InChIKey=SJNBDGQEQVFVTG-ZGWHAFSYSA-N
Formula: C30H34O10
Molecular Weight: 554.586112
Exact Mass: 554.215197
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) | 84.6 |
| 2 (CH2) | 39.9 |
| 3 (C) | 170.8 |
| 4 (C) | 90.6 |
| 5 (C) | 140.9 |
| 6 (C) | 185.5 |
| 7 (CH) | 130.4 |
| 8 (C) | 142.5 |
| 9 (C) | 83.3 |
| 10 (C) | 150.2 |
| 11 (CH2) | 36.1 |
| 12 (CH2) | 31.9 |
| 13 (C) | 51.3 |
| 14 (C) | 200.8 |
| 15 (C) | 101.1 |
| 16 (CH) | 46.1 |
| 17 (C) | 220.2 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 37.5 |
| 20 (CH) | 45.4 |
| 21 (CH3) | 14.9 |
| 22 (CH) | 40.5 |
| 23 (CH) | 75.1 |
| 24 (CH) | 69.4 |
| 25 (CH) | 42.8 |
| 26 (C) | 180 |
| 27 (CH3) | 8.8 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 29.3 |
| 3a (CH3) | 51.5 |
