Spektraris NMR
24-Methylene-27-methylcholest-5-ene-3β,7α-diol
Common Name: 24-Methylene-27-methylcholest-5-ene-3β,7α-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O2/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/h17-18,20,22-27,30-31H,3,7-16H2,1-2,4-6H3/t18-,20+,22-,23+,24-,25-,26+,27-,28-,29+/m0/s1
InChIKey: InChIKey=IZFDLYIVDDBPEE-DLGWMYMJSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, H.W., Wang, Z.L., Wu, J.H., Shi, N., Zhang, H.J., Chen, W.S., Morris-Natschke, S.L., Lin, A.S. J Nat Prod (2007) 70, 1114-7
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) | 37 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 71.3 |
| 4 (CH2) | 42.2 |
| 5 (C) | 146.2 |
| 6 (CH) | 123.9 |
| 7 (CH) | 65.3 |
| 8 (CH) | 37.5 |
| 9 (CH) | 42.3 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 39.2 |
| 13 (C) | 42.2 |
| 14 (CH) | 49.4 |
| 15 (CH2) | 24.3 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 55.7 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 18.2 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 34.6 |
| 23 (CH2) | 30.2 |
| 24 (C) | 155.3 |
| 25 (CH) | 41.7 |
| 26 (CH2) | 28.3 |
| 27 (CH3) | 19.8 |
| 24a (CH2) | 107.1 |
| 26a (CH3) | 12 |
