Spektraris NMR
(22E,24R)-6-Methoxyergosta-7,22-dien-3,5-diol
Common Name: (22E,24R)-6-Methoxyergosta-7,22-dien-3,5-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26?,27+,28+,29-/m0/s1
InChIKey: InChIKey=GQVCGTRDXSDAHC-OEXUFOSLSA-N
Formula: C29H48O3
Molecular Weight: 444.690712
Exact Mass: 444.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., Shen, Y.M. Helv Chim Acta (2006) 89, 2841-5
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) | 32.7 |
| 2 (CH2) | 30.8 |
| 3 (CH) | 67.8 |
| 4 (CH2) | 39.5 |
| 5 (C) | 76.3 |
| 6 (CH) | 82.4 |
| 7 (CH) | 114.9 |
| 8 (C) | 143.6 |
| 9 (CH) | 43.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 39.3 |
| 13 (C) | 43.8 |
| 14 (CH) | 54.9 |
| 15 (CH2) | 22.8 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 12.3 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 40.4 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 135.4 |
| 23 (CH) | 132 |
| 24 (CH) | 42.8 |
| 25 (CH) | 33 |
| 26 (CH3) | 19.9 |
| 27 (CH3) | 19.6 |
| 6a (CH3) | 58.3 |
| 24a (CH3) | 17.6 |
