Spektraris NMR
3beta-Hydroxy-26-methylergosta-5,24(28)-diene-7-one
Common Name: 3beta-Hydroxy-26-methylergosta-5,24(28)-diene-7-one
Synonyms: 3beta-Hydroxy-26-methylergosta-5,24(28)-diene-7-one
CAS Registry Number:
InChI: InChI=1S/C29H46O2/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-18,20,22-25,27,30H,3,7-16H2,1-2,4-6H3/t18?,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKey: InChIKey=SKHJNKSCMROGMW-XYVFYJEFSA-N
Formula: C29H46O2
Molecular Weight: 426.675426
Exact Mass: 426.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, W.H., Che, C.T. J Nat Prod (2001) 64, 1489-92
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 31.3 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 70.5 |
| 4 (CH2) | 41.7 |
| 5 (C) | 164.9 |
| 6 (CH) | 126 |
| 7 (C) | 202 |
| 8 (CH) | 45.4 |
| 9 (CH) | 45.5 |
| 10 (C) | 43.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 38.8 |
| 13 (C) | 29.8 |
| 14 (CH) | 54.6 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 50 |
| 18 (CH3) | 12.1 |
| 19 (CH3) | 12.2 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 17.4 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 34.7 |
| 24 (C) | 155 |
| 25 (CH) | 41.9 |
| 26 (CH2) | 28.4 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 19 |
| 24a (CH2) | 107.1 |
