Spektraris NMR
24-Methylene-27-methylcholestane-3β,5α,6β-triol
Common Name: 24-Methylene-27-methylcholestane-3β,5α,6β-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50O3/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18,20-26,30-32H,3,7-17H2,1-2,4-6H3/t18-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey: InChIKey=HISZBVWOYRUGHP-IBTUXLEYSA-N
Formula: C29H50O3
Molecular Weight: 446.706593
Exact Mass: 446.375995
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) | 32.5 |
| 2 (CH2) | 31.1 |
| 3 (CH) | 67.7 |
| 4 (CH2) | 41 |
| 5 (C) | 76.3 |
| 6 (CH) | 76.2 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 30.4 |
| 9 (CH) | 46.1 |
| 10 (C) | 38.5 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 40.2 |
| 13 (C) | 43 |
| 14 (CH) | 56.2 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 56.4 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 16.8 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 30.8 |
| 24 (C) | 155.4 |
| 25 (CH) | 41.8 |
| 26 (CH2) | 28.4 |
| 27 (CH3) | 19.8 |
| 24a (CH2) | 107.2 |
| 26a (CH3) | 11.9 |
