Spektraris NMR
Bracteosin C
Common Name: Bracteosin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O7/c1-14-10-22(36-27(34)17(14)13-30)15(2)18-6-7-19-16-11-21(31)25-26(33)23(35-5)12-24(32)29(25,4)20(16)8-9-28(18,19)3/h15-16,18-23,25-26,30-31,33H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22+,23-,25-,26-,28+,29-/m0/s1
InChIKey: InChIKey=NFIMFHSRXCLQOT-FCDJUPLXSA-N
Formula: C29H44O7
Molecular Weight: 504.656569
Exact Mass: 504.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Riaz, N., Malik, A., Nawaz, S.A., Muhammad, P., Choudhary, M.I. Chem Biodiversity (2004) 1, 1289-95
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) | 208.2 |
| 2 (CH2) | 40.6 |
| 3 (CH) | 77.4 |
| 4 (CH) | 76.7 |
| 5 (CH) | 56.1 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 29.9 |
| 9 (CH) | 43.4 |
| 10 (C) | 49.5 |
| 11 (CH2) | 21 |
| 12 (CH2) | 39.3 |
| 13 (C) | 43 |
| 14 (CH) | 56.3 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 15.7 |
| 20 (CH) | 38.8 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 79.7 |
| 23 (CH2) | 29.8 |
| 24 (C) | 153.5 |
| 25 (C) | 125.8 |
| 26 (C) | 166 |
| 27 (CH2) | 56 |
| 28 (CH3) | 20 |
| 3a (CH3) | 56.4 |
