Spektraris NMR
Daturalicin
Common Name: Daturalicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O6/c1-14-23(30)32-19-12-25(14,3)31-13-15(19)17-10-22-28(34-22)18-11-21-27(33-21)8-5-6-20(29)26(27,4)16(18)7-9-24(17,28)2/h5-6,15-19,21-22H,1,7-13H2,2-4H3/t15-,16-,17+,18+,19+,21+,22-,24+,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=UWYWRVRABMRMEA-KUHSSHAWSA-N
Formula: C28H34O6
Molecular Weight: 466.56702
Exact Mass: 466.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Arfeen, S., Afshan, F., Begum, S. Heterocycles (2005) 65, 857-63
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 (C) | 203 |
| 2 (CH) | 129.2 |
| 3 (CH) | 144 |
| 4 (CH2) | 33.1 |
| 5 (C) | 62 |
| 6 (CH) | 63.2 |
| 7 (CH2) | 31 |
| 8 (CH) | 34.7 |
| 9 (CH) | 36.9 |
| 10 (C) | 51.5 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 26.5 |
| 13 (C) | 47.2 |
| 14 (C) | 63.5 |
| 15 (CH) | 58.4 |
| 16 (CH2) | 38.7 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 11.5 |
| 19 (CH3) | 14.7 |
| 20 (CH) | 40 |
| 21 (CH2) | 60.6 |
| 22 (CH) | 75.6 |
| 23 (CH2) | 33.4 |
| 24 (C) | 69.4 |
| 25 (C) | 139 |
| 26 (C) | 166 |
| 27 (CH2) | 129 |
| 28 (CH3) | 26.5 |
