Spektraris NMR
Rubriflordilactone A
Common Name: Rubriflordilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3/t14-,16+,20-,21-,22+,25-,28+/m0/s1
InChIKey: InChIKey=QFKYMFWLPPOWOB-MPHJNTCLSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Yang, L.M., Gong, N.B., Wu, L., Wang, R.R., Pu, J.X., Li, X.L., Huang, S.X., Zheng, Y.T., Li, R.T., Lu, Y., Zheng, Q.T., Sun, H.D. Org Lett (2006) 8, 991-4
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) | 36.1 |
| 3 (C) | 175.5 |
| 4 (C) | 84.1 |
| 5 (CH) | 60.2 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 30.8 |
| 8 (C) | 134.5 |
| 9 (C) | 126.7 |
| 10 (C) | 99.1 |
| 11 (CH) | 116.1 |
| 12 (C) | 148.3 |
| 13 (C) | 124.8 |
| 14 (C) | 145.1 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 30 |
| 17 (CH) | 37.8 |
| 19 (CH2) | 40.7 |
| 20 (CH) | 30.1 |
| 21 (CH3) | 13.2 |
| 22 (CH) | 83.5 |
| 23 (CH) | 82.2 |
| 24 (CH) | 145.1 |
| 25 (C) | 132 |
| 26 (C) | 171.9 |
| 27 (CH3) | 10.8 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 21 |
