Spektraris NMR
3b-Linoleyloxyergost-7-ene
Common Name: 3b-Linoleyloxyergost-7-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,27,35-39,41-43H,8-11,14,17-26,28-34H2,1-7H3/b13-12-,16-15-/t36-,37+,38-,39-,41+,42-,43-,45-,46+/m0/s1
InChIKey: InChIKey=XXLILNVFRASZGT-SPGKEBDDSA-N
Formula: C46H78O2
Molecular Weight: 663.11204
Exact Mass: 662.600182
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 603-10
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) | 36.89 |
| 2 (CH2) | 34.79 |
| 3 (CH) | 73.21 |
| 4 (CH2) | 31.56 |
| 5 (CH) | 40.11 |
| 6 (CH2) | 29.63 |
| 7 (CH) | 117.32 |
| 8 (C) | 139.6 |
| 9 (CH) | 49.31 |
| 10 (C) | 34.25 |
| 11 (CH2) | 21.51 |
| 12 (CH2) | 39.53 |
| 13 (C) | 43.39 |
| 14 (CH) | 55.02 |
| 15 (CH2) | 22.98 |
| 16 (CH2) | 27.94 |
| 17 (CH) | 56.04 |
| 18 (CH3) | 11.89 |
| 19 (CH3) | 12.98 |
| 20 (CH) | 36.67 |
| 21 (CH3) | 19.05 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 30.74 |
| 24 (CH) | 39.1 |
| 25 (CH) | 31.49 |
| 26 (CH3) | 17.62 |
| 27 (CH3) | 20.55 |
| 3a (C) | 173.47 |
| 3b (CH2) | 33.89 |
| 3c (CH2) | 25.11 |
| 3d (CH2) | 29.13 |
| 3e (CH2) | 29.13 |
| 3f (CH2) | 29.13 |
| 3g (CH2) | 29.13 |
| 3h (CH2) | 27.22 |
| 3i (CH) | 130.1 |
| 3j (CH) | 128.07 |
| 3k (CH2) | 25.67 |
| 3l (CH) | 127.95 |
| 3m (CH) | 130.25 |
| 3n (CH2) | 27.22 |
| 3o (CH2) | 29.2 |
| 3p (CH2) | 31.56 |
| 3q (CH2) | 22.61 |
| 3r (CH3) | 14.11 |
| 24a (CH3) | 15.48 |
