Spektraris NMR
Rubriflordilactone B
Common Name: Rubriflordilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O6/c1-13-9-20(32-26(13)30)25-14(2)24-17-6-5-15-12-28-21(8-7-16(15)18(17)10-19(24)31-25)27(3,4)33-22(28)11-23(29)34-28/h5-9,14,19-22,24-25H,10-12H2,1-4H3/t14-,19+,20-,21-,22+,24-,25-,28+/m0/s1
InChIKey: InChIKey=JGSLSHOXBXVVTQ-NEUKEVNNSA-N
Formula: C28H30O6
Molecular Weight: 462.535257
Exact Mass: 462.204239
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) | 79.9 |
| 2 (CH2) | 35.9 |
| 3 (C) | 175.1 |
| 4 (C) | 85.1 |
| 5 (CH) | 60 |
| 6 (CH) | 128.1 |
| 7 (CH) | 127.9 |
| 8 (C) | 133.2 |
| 9 (C) | 130.8 |
| 10 (C) | 103.4 |
| 11 (CH) | 131.5 |
| 12 (CH) | 129.3 |
| 13 (C) | 140.3 |
| 14 (C) | 144.5 |
| 15 (CH2) | 30.7 |
| 16 (CH) | 83.5 |
| 17 (CH) | 58.4 |
| 19 (CH2) | 38.2 |
| 20 (CH) | 42.5 |
| 21 (CH3) | 18.6 |
| 22 (CH) | 86.9 |
| 23 (CH) | 81.1 |
| 24 (CH) | 146.8 |
| 25 (C) | 130.8 |
| 26 (C) | 173 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 21.9 |
