Spektraris NMR
3-O-Deacetylluffasterol B
Common Name: 3-O-Deacetylluffasterol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(26(22,5)13-14-29)21-15-24-28(32-24)16-20(30)11-12-27(28,6)25(21)31/h7-8,14-15,17-20,22-24,30H,9-13,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,26+,27+,28-/m0/s1
InChIKey: InChIKey=CZZPXDDQEIHYNY-QIBDZGQISA-N
Formula: C28H42O4
Molecular Weight: 442.631736
Exact Mass: 442.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Carballo, J.L., Salva, J. J Nat Prod (1998) 61, 258-61
Species:
Notes: Family : Steroids, Type : Ergostanes; 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 (CH2) | 27.8 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 68.3 |
| 4 (CH2) | 37.5 |
| 5 (C) | 63.5 |
| 6 (CH) | 53.5 |
| 7 (CH) | 139.7 |
| 8 (C) | 140.5 |
| 9 (C) | 200.6 |
| 10 (C) | 45.4 |
| 11 (CH) | 203.4 |
| 12 (CH2) | 50.8 |
| 13 (C) | 46.3 |
| 14 (CH) | 45 |
| 15 (CH2) | 26.7 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 20 |
| 20 (CH) | 43 |
| 21 (CH3) | 19.7 |
| 22 (CH) | 133.4 |
| 23 (CH) | 134 |
| 24 (CH) | 38.8 |
| 25 (CH) | 33.2 |
| 26 (CH3) | 21.1 |
| 27 (CH3) | 21.9 |
| 24a (CH3) | 17.8 |
