Spektraris NMR
Tuboanosigenin
Common Name: Tuboanosigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-17(31)36-25-15-20(32)14-19-6-7-21-23-9-8-22(27(23,2)12-11-24(21)30(19,25)5)18-10-13-29(4,35)28(3,16-18)26(33)34/h6,18,20-25,32,35H,7-16H2,1-5H3,(H,33,34)/t18-,20-,21+,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VFXUAFQPLOQBKE-HIVZRJGISA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kiyota, N., Shingu, K., Yamaguchi, K., Yoshitake, Y., Harano, K., Yoshimitsu, H., Miyashita, H., Ikeda, T., Tagawa, C., Nohara, T. Chem Pharm Bull (2008) 56, 1038-40
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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) | 75.1 |
| 2 (CH2) | 35.7 |
| 3 (CH) | 66.7 |
| 4 (CH2) | 41.5 |
| 5 (C) | 137.3 |
| 6 (CH) | 124.1 |
| 7 (CH2) | 31.6 |
| 8 (CH) | 31.9 |
| 9 (CH) | 42.3 |
| 10 (C) | 40.4 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 39.4 |
| 13 (C) | 42.9 |
| 14 (CH) | 55.9 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 13 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 39 |
| 21 (CH2) | 31.1 |
| 22 (CH2) | 77.4 |
| 23 (CH2) | 38 |
| 24 (C) | 71.9 |
| 25 (C) | 47.3 |
| 26 (C) | 177.2 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 29.1 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.1 |
