Spektraris NMR
Norselic acid C
Common Name: Norselic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O3/c1-17(2)18(3)6-7-19(4)23-10-11-25-22-9-8-20-16-21(29)12-14-27(20,5)24(22)13-15-28(23,25)26(30)31/h12,14,16-17,19,22-25H,3,6-11,13,15H2,1-2,4-5H3,(H,30,31)/t19-,22-,23-,24+,25+,27+,28+/m1/s1
InChIKey: InChIKey=JHPMFVKZPIBTMK-PBWAOFFKSA-N
Formula: C28H40O3
Molecular Weight: 424.61645
Exact Mass: 424.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, W.S., Mutka, T., Vesley, B., Amsler, M.O., McClintock, J.B., Amsler, C.D., Perman, J.A., Singh, M.P., Maiese, W.M., Zaworotko, M.J., Kyle, D.E., Baker, B.J. J Nat Prod (2009) 72, 1842-6
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 156.6 |
| 2 (CH) | 127.8 |
| 3 (C) | 186.4 |
| 4 (CH) | 124.2 |
| 5 (C) | 169.2 |
| 6 (CH2) | 32.9 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 37 |
| 9 (CH) | 52.3 |
| 10 (C) | 43.7 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 34.7 |
| 13 (C) | 57.2 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 25.1 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 56.2 |
| 18 (C) | 179.6 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 33.6 |
| 23 (CH2) | 30.9 |
| 24 (C) | 156.6 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 22.2 |
| 24a (CH2) | 106.4 |
