Spektraris NMR
5R,6‚,8R-trihydroxy-28-norisotoonafolin
Common Name: 5R,6‚,8R-trihydroxy-28-norisotoonafolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,9,11,13-18,27-28,30-31H,7-8H2,1-4H3/t11-,13-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKey: InChIKey=OMQBBQBLEKPHLY-CJXASKDKSA-N
Formula: C25H30O10
Molecular Weight: 490.500669
Exact Mass: 490.183897
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liao, S.G., Yang, S.P., Yuan, T., Zhang, C.R., Chen, H.D., Wu, Y., Xu, Y.K., Yue, J.M. J Nat Prod (2007) 70, 1268-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 87.4 |
| 2 (CH2) | 49.7 |
| 3 (C) | 206.3 |
| 4 (C) | 92.5 |
| 5 (C) | 85.5 |
| 6 (CH) | 76.1 |
| 7 (C) | 175.4 |
| 8 (C) | 76.9 |
| 9 (CH) | 50.8 |
| 10 (C) | 52.8 |
| 11 (CH) | 79.7 |
| 12 (CH) | 73 |
| 13 (C) | 48.5 |
| 14 (C) | 74.4 |
| 15 (CH) | 57.3 |
| 16 (CH2) | 32.7 |
| 17 (CH) | 43.2 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 19.3 |
| 20 (C) | 124.8 |
| 21 (CH) | 141.3 |
| 22 (CH) | 112.6 |
| 23 (CH) | 144.4 |
| 28 (CH3) | 20.9 |
| 30 (CH3) | 23.6 |
